oxolan-3-yl N-[[3-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-2-oxoethyl]phenyl]methyl]carbamate

C24H25N3O5 — CID 20604859

IUPACoxolan-3-yl N-[[3-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-2-oxoethyl]phenyl]methyl]carbamate
SMILESCc1cc(NC(=O)Cc2cccc(CNC(=O)OC3CCOC3)c2)ccc1-c1cnco1
InChIInChI=1S/C24H25N3O5/c1-16-9-19(5-6-21(16)22-13-25-15-31-22)27-23(28)11-17-3-2-4-18(10-17)12-26-24(29)32-20-7-8-30-14-20/h2-6,9-10,13,15,20H,7-8,11-12,14H2,1H3,(H,26,29)(H,27,28)
InChIKeyDNXIQZKRAZNVRA-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.85
Rot. Bonds7

About oxolan-3-yl N-[[3-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-2-oxoethyl]phenyl]methyl]carbamate

oxolan-3-yl N-[[3-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-2-oxoethyl]phenyl]methyl]carbamate (PubChem CID 20604859) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is oxolan-3-yl N-[[3-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-2-oxoethyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nameoxolan-3-yl N-[[3-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-2-oxoethyl]phenyl]methyl]carbamate
PubChem CID20604859
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Nameoxolan-3-yl N-[[3-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-2-oxoethyl]phenyl]methyl]carbamate
SMILESCc1cc(NC(=O)Cc2cccc(CNC(=O)OC3CCOC3)c2)ccc1-c1cnco1
InChIInChI=1S/C24H25N3O5/c1-16-9-19(5-6-21(16)22-13-25-15-31-22)27-23(28)11-17-3-2-4-18(10-17)12-26-24(29)32-20-7-8-30-14-20/h2-6,9-10,13,15,20H,7-8,11-12,14H2,1H3,(H,26,29)(H,27,28)
InChIKeyDNXIQZKRAZNVRA-UHFFFAOYSA-N
XLogP3.85
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-4-(1,3-oxazol-5-yl)aniline;[(3S)-oxolan-3-yl] N-[[3-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-2-oxoethyl]phenyl]methyl]carbamate;2-[3-[[[(3S)-oxolan-3-yl]oxycarbonylamino]methyl]phenyl]acetic acid
CID 160711986
oxolan-3-yl N-[[3-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate
CID 22058490
ethane;[(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 91572160
methane;[(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;phenyl N-[3-[[[(3S)-oxolan-3-yl]oxycarbonylamino]methyl]phenyl]carbamate
CID 157293080
ethoxy-[[2-(1,3-oxazol-5-yl)-5-[[3-[[[(3S)-oxolan-3-yl]oxycarbonylamino]methyl]phenyl]carbamoylamino]phenoxy]methyl]phosphinic acid
CID 89245141
cyclohexyl N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 91800673
[(3S)-oxolan-3-yl] N-[[3-[[3-hydroxy-6-methoxy-3-methyl-5-(1,3-oxazol-5-yl)cyclohepta-1,4,6-trien-1-yl]carbamoylamino]phenyl]methyl]carbamate
CID 163492198
cyclopentyl N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;morpholine
CID 142907089
1-hydroxybutan-2-yl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 18343082
[(2R)-1-hydroxybutan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 59925007
1-aminobutan-2-yl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 23546200
oxolan-3-yl N-[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]benzoyl]carbamate
CID 155661853

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl N-[[3-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-2-oxoethyl]phenyl]methyl]carbamate?
The IUPAC name of oxolan-3-yl N-[[3-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-2-oxoethyl]phenyl]methyl]carbamate (CID 20604859) is oxolan-3-yl N-[[3-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-2-oxoethyl]phenyl]methyl]carbamate.
What is the SMILES notation for oxolan-3-yl N-[[3-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-2-oxoethyl]phenyl]methyl]carbamate?
The canonical SMILES for oxolan-3-yl N-[[3-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-2-oxoethyl]phenyl]methyl]carbamate is Cc1cc(NC(=O)Cc2cccc(CNC(=O)OC3CCOC3)c2)ccc1-c1cnco1.
What is the InChIKey of oxolan-3-yl N-[[3-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-2-oxoethyl]phenyl]methyl]carbamate?
The InChIKey is DNXIQZKRAZNVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-16-9-19(5-6-21(16)22-13-25-15-31-22)27-23(28)11-17-3-2-4-18(10-17)12-26-24(29)32-20-7-8-30-14-20/h2-6,9-10,13,15,20H,7-8,11-12,14H2,1H3,(H,26,29)(H,27,28).
What are the key properties of oxolan-3-yl N-[[3-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-2-oxoethyl]phenyl]methyl]carbamate?
oxolan-3-yl N-[[3-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-2-oxoethyl]phenyl]methyl]carbamate has a molecular weight of 435.48 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl N-[[3-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-2-oxoethyl]phenyl]methyl]carbamate is sourced from PubChem (CID 20604859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).