1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(2-oxo-3H-1,3-benzoxazol-7-yl)urea

C16H18N4O4 — CID 126814377

IUPAC1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(2-oxo-3H-1,3-benzoxazol-7-yl)urea
SMILESCc1noc(C)c1CC(C)NC(=O)Nc1cccc2[nH]c(=O)oc12
InChIInChI=1S/C16H18N4O4/c1-8(7-11-9(2)20-24-10(11)3)17-15(21)18-12-5-4-6-13-14(12)23-16(22)19-13/h4-6,8H,7H2,1-3H3,(H,19,22)(H2,17,18,21)
InChIKeyKODLSBVZFCMYMP-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.48
Rot. Bonds4

About 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(2-oxo-3H-1,3-benzoxazol-7-yl)urea

1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(2-oxo-3H-1,3-benzoxazol-7-yl)urea (PubChem CID 126814377) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(2-oxo-3H-1,3-benzoxazol-7-yl)urea.

Molecular Properties

Compound Name1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(2-oxo-3H-1,3-benzoxazol-7-yl)urea
PubChem CID126814377
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(2-oxo-3H-1,3-benzoxazol-7-yl)urea
SMILESCc1noc(C)c1CC(C)NC(=O)Nc1cccc2[nH]c(=O)oc12
InChIInChI=1S/C16H18N4O4/c1-8(7-11-9(2)20-24-10(11)3)17-15(21)18-12-5-4-6-13-14(12)23-16(22)19-13/h4-6,8H,7H2,1-3H3,(H,19,22)(H2,17,18,21)
InChIKeyKODLSBVZFCMYMP-UHFFFAOYSA-N
XLogP2.48
TPSA113.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(1-hydroxypropan-2-yl)urea
CID 111439093
1-(2-chloro-5-nitrophenyl)-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]urea
CID 75398051
1-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 95774144
1-(5-chloro-8-methylquinolin-2-yl)-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]urea
CID 86814785
5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylcarbamoyl]furan-2-carboxylic acid
CID 120692172
1-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]urea
CID 97065871
1-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(4-ethynyl-2,6-difluorophenyl)urea
CID 97328707
1-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(4-ethynyl-2,6-difluorophenyl)urea
CID 97328708
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 126769962
5-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methylbenzamide;hydrochloride
CID 120635010
5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid
CID 119137421
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
CID 111795023

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(2-oxo-3H-1,3-benzoxazol-7-yl)urea?
The IUPAC name of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(2-oxo-3H-1,3-benzoxazol-7-yl)urea (CID 126814377) is 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(2-oxo-3H-1,3-benzoxazol-7-yl)urea.
What is the SMILES notation for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(2-oxo-3H-1,3-benzoxazol-7-yl)urea?
The canonical SMILES for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(2-oxo-3H-1,3-benzoxazol-7-yl)urea is Cc1noc(C)c1CC(C)NC(=O)Nc1cccc2[nH]c(=O)oc12.
What is the InChIKey of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(2-oxo-3H-1,3-benzoxazol-7-yl)urea?
The InChIKey is KODLSBVZFCMYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-8(7-11-9(2)20-24-10(11)3)17-15(21)18-12-5-4-6-13-14(12)23-16(22)19-13/h4-6,8H,7H2,1-3H3,(H,19,22)(H2,17,18,21).
What are the key properties of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(2-oxo-3H-1,3-benzoxazol-7-yl)urea?
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(2-oxo-3H-1,3-benzoxazol-7-yl)urea has a molecular weight of 330.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(2-oxo-3H-1,3-benzoxazol-7-yl)urea is sourced from PubChem (CID 126814377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).