N-(5-methyl-1,2-oxazol-3-yl)-2-[[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide

C20H23N3O2S — CID 9136207

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide
SMILESCCCc1ccc([C@H](NCC(=O)Nc2cc(C)on2)c2cccs2)cc1
InChIInChI=1S/C20H23N3O2S/c1-3-5-15-7-9-16(10-8-15)20(17-6-4-11-26-17)21-13-19(24)22-18-12-14(2)25-23-18/h4,6-12,20-21H,3,5,13H2,1-2H3,(H,22,23,24)/t20-/m0/s1
InChIKeyCXSKBJDMJACXNI-FQEVSTJZSA-N
MW369.49 g/mol
LogP4.31
Rot. Bonds8

About N-(5-methyl-1,2-oxazol-3-yl)-2-[[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide (PubChem CID 9136207) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide
PubChem CID9136207
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide
SMILESCCCc1ccc([C@H](NCC(=O)Nc2cc(C)on2)c2cccs2)cc1
InChIInChI=1S/C20H23N3O2S/c1-3-5-15-7-9-16(10-8-15)20(17-6-4-11-26-17)21-13-19(24)22-18-12-14(2)25-23-18/h4,6-12,20-21H,3,5,13H2,1-2H3,(H,22,23,24)/t20-/m0/s1
InChIKeyCXSKBJDMJACXNI-FQEVSTJZSA-N
XLogP4.31
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8998064
N-[2-(ethylamino)-2-oxoethyl]-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9136383
4-[[2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide
CID 9136177
N-(3-cyanothiophen-2-yl)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9136221
N-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43393768
2-[[(R)-(4-butylphenyl)-thiophen-2-ylmethyl]amino]-N-(3-cyanothiophen-2-yl)acetamide
CID 8993496
2-[[(S)-(4-butylphenyl)-thiophen-2-ylmethyl]amino]-N-(3-cyanothiophen-2-yl)acetamide
CID 8993493
(2R)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 9136299
2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-(phenylcarbamoyl)acetamide
CID 8769587
2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8769028
2-[[(S)-(4-butylphenyl)-thiophen-2-ylmethyl]amino]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 8993579
methyl N-[2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]acetyl]carbamate
CID 8769482

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide (CID 9136207) is N-(5-methyl-1,2-oxazol-3-yl)-2-[[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide is CCCc1ccc([C@H](NCC(=O)Nc2cc(C)on2)c2cccs2)cc1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
The InChIKey is CXSKBJDMJACXNI-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-3-5-15-7-9-16(10-8-15)20(17-6-4-11-26-17)21-13-19(24)22-18-12-14(2)25-23-18/h4,6-12,20-21H,3,5,13H2,1-2H3,(H,22,23,24)/t20-/m0/s1.
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide has a molecular weight of 369.49 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide is sourced from PubChem (CID 9136207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).