1-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylurea

C15H19N3O2 — CID 110666422

IUPAC1-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylurea
SMILESCc1oc(CNC(=O)NC(C)C)nc1-c1ccccc1
InChIInChI=1S/C15H19N3O2/c1-10(2)17-15(19)16-9-13-18-14(11(3)20-13)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H2,16,17,19)
InChIKeyKOLGBWZLPKBFDR-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.86
Rot. Bonds4

About 1-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylurea

1-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylurea (PubChem CID 110666422) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylurea
PubChem CID110666422
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylurea
SMILESCc1oc(CNC(=O)NC(C)C)nc1-c1ccccc1
InChIInChI=1S/C15H19N3O2/c1-10(2)17-15(19)16-9-13-18-14(11(3)20-13)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H2,16,17,19)
InChIKeyKOLGBWZLPKBFDR-UHFFFAOYSA-N
XLogP2.86
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]carbamate
CID 110666364
N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]pyridine-4-carboxamide
CID 84509149
2-(4-methylphenoxy)-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]acetamide
CID 110666359
N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110666367
1-acetyl-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide
CID 110666323
3-(dimethylamino)-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]benzamide
CID 110666314
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 75517881
2-(3-methylphenoxy)-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]acetamide
CID 110666377
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(propan-2-ylcarbamoylamino)benzamide
CID 86822427
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]urea
CID 97224446
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(2S,4S)-4-hydroxy-4-phenylbutan-2-yl]urea
CID 97224444
N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-1-phenylmethanesulfonamide
CID 110666401

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylurea?
The IUPAC name of 1-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylurea (CID 110666422) is 1-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylurea is Cc1oc(CNC(=O)NC(C)C)nc1-c1ccccc1.
What is the InChIKey of 1-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylurea?
The InChIKey is KOLGBWZLPKBFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(2)17-15(19)16-9-13-18-14(11(3)20-13)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylurea?
1-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylurea has a molecular weight of 273.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylurea is sourced from PubChem (CID 110666422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).