N-[[(5S)-2-oxo-3-(5-thiophen-3-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-12-yl)-1,3-oxazolidin-5-yl]methyl]acetamide

C22H22N4O3S — CID 10477334

IUPACN-[[(5S)-2-oxo-3-(5-thiophen-3-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-12-yl)-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4ccsc4)n[nH]c2-3)C(=O)O1
InChIInChI=1S/C22H22N4O3S/c1-13(27)23-10-17-11-26(22(28)29-17)16-5-6-18-14(9-16)3-2-4-19-20(24-25-21(18)19)15-7-8-30-12-15/h5-9,12,17H,2-4,10-11H2,1H3,(H,23,27)(H,24,25)/t17-/m0/s1
InChIKeyYCPPKXCHQRNQGG-KRWDZBQOSA-N
MW422.51 g/mol
LogP3.76
Rot. Bonds4

About N-[[(5S)-2-oxo-3-(5-thiophen-3-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-12-yl)-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-2-oxo-3-(5-thiophen-3-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-12-yl)-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10477334) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-[[(5S)-2-oxo-3-(5-thiophen-3-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-12-yl)-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-2-oxo-3-(5-thiophen-3-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-12-yl)-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10477334
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC NameN-[[(5S)-2-oxo-3-(5-thiophen-3-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-12-yl)-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4ccsc4)n[nH]c2-3)C(=O)O1
InChIInChI=1S/C22H22N4O3S/c1-13(27)23-10-17-11-26(22(28)29-17)16-5-6-18-14(9-16)3-2-4-19-20(24-25-21(18)19)15-7-8-30-12-15/h5-9,12,17H,2-4,10-11H2,1H3,(H,23,27)(H,24,25)/t17-/m0/s1
InChIKeyYCPPKXCHQRNQGG-KRWDZBQOSA-N
XLogP3.76
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(5S)-2-oxo-3-(5-thiophen-3-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-12-yl)-1,3-oxazolidin-5-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[(5S)-2-oxo-3-[5-(2-oxo-1H-pyridin-4-yl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-12-yl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10002973
N-[[(5S)-3-[5-(4-hydroxyfuran-3-yl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-12-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10002335
N-[[(5S)-3-[5-(4-fluorofuran-3-yl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-12-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10025361
N-[[(5S)-2-oxo-3-[5-[2-(trifluoromethoxy)phenyl]-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-12-yl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10481092
N-[[(5S)-2-oxo-3-[5-[4-(trifluoromethoxy)furan-3-yl]-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-12-yl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10458281
N-[[(5S)-3-[5-(2-fluoro-4-pyridinyl)-3-oxa-4-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-12-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10365728
N-[[(5S)-3-[(6Z)-6-(dimethylaminomethylidene)-5-oxo-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10406909
N-[[3-[6-[(Z)-3-amino-2-aminosulfanylbut-2-enoyl]-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142929355
N-[[(5S)-2-oxo-3-[(6Z)-5-oxo-6-(pyridin-4-ylmethylidene)-8,9-dihydro-7H-benzo[7]annulen-2-yl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10319093
N-[[3-(3-chloro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 19418145
tert-butyl 4-[8-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-4,5-dihydro-1H-[1]benzoxepino[4,5-d]pyrazol-3-yl]piperazine-1-carboxylate
CID 10075565
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-2-oxo-3-(5-thiophen-3-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-12-yl)-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-2-oxo-3-(5-thiophen-3-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-12-yl)-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10477334) is N-[[(5S)-2-oxo-3-(5-thiophen-3-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-12-yl)-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-2-oxo-3-(5-thiophen-3-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-12-yl)-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-2-oxo-3-(5-thiophen-3-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-12-yl)-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4ccsc4)n[nH]c2-3)C(=O)O1.
What is the InChIKey of N-[[(5S)-2-oxo-3-(5-thiophen-3-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-12-yl)-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is YCPPKXCHQRNQGG-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-13(27)23-10-17-11-26(22(28)29-17)16-5-6-18-14(9-16)3-2-4-19-20(24-25-21(18)19)15-7-8-30-12-15/h5-9,12,17H,2-4,10-11H2,1H3,(H,23,27)(H,24,25)/t17-/m0/s1.
What are the key properties of N-[[(5S)-2-oxo-3-(5-thiophen-3-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-12-yl)-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-2-oxo-3-(5-thiophen-3-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-12-yl)-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 422.51 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-2-oxo-3-(5-thiophen-3-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-12-yl)-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10477334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).