1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[(4-methylphenyl)methyl]urea

C19H19N3O3 — CID 12051287

IUPAC1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[(4-methylphenyl)methyl]urea
SMILESCOc1cc(NC(=O)NCc2ccc(C)cc2)ccc1-c1cnco1
InChIInChI=1S/C19H19N3O3/c1-13-3-5-14(6-4-13)10-21-19(23)22-15-7-8-16(17(9-15)24-2)18-11-20-12-25-18/h3-9,11-12H,10H2,1-2H3,(H2,21,22,23)
InChIKeyNOBPUJDGQISLBK-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.98
Rot. Bonds5

About 1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[(4-methylphenyl)methyl]urea

1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[(4-methylphenyl)methyl]urea (PubChem CID 12051287) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[(4-methylphenyl)methyl]urea
PubChem CID12051287
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[(4-methylphenyl)methyl]urea
SMILESCOc1cc(NC(=O)NCc2ccc(C)cc2)ccc1-c1cnco1
InChIInChI=1S/C19H19N3O3/c1-13-3-5-14(6-4-13)10-21-19(23)22-15-7-8-16(17(9-15)24-2)18-11-20-12-25-18/h3-9,11-12H,10H2,1-2H3,(H2,21,22,23)
InChIKeyNOBPUJDGQISLBK-UHFFFAOYSA-N
XLogP3.98
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[4-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate
CID 20766988
1-[(4-aminophenyl)methyl]-3-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]urea
CID 22986206
N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenylpropanediamide
CID 10338010
N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]oxamide
CID 20766904
cyclohexyl N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 91800673
N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-(3-methylbutyl)oxamide
CID 20766963
1-carbamoyloxybutan-2-yl N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 18343102
[(2R)-2-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methylcarbamoyloxy]butyl] acetate
CID 10074535
1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(3-nitrophenyl)urea
CID 15462733
N-(1,3-dioxolan-2-ylmethyl)-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766594
ethane;[(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 91572160
ethane;5-(2-methoxy-4-methylphenyl)-1,3-oxazole
CID 143041662

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[(4-methylphenyl)methyl]urea (CID 12051287) is 1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[(4-methylphenyl)methyl]urea is COc1cc(NC(=O)NCc2ccc(C)cc2)ccc1-c1cnco1.
What is the InChIKey of 1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[(4-methylphenyl)methyl]urea?
The InChIKey is NOBPUJDGQISLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13-3-5-14(6-4-13)10-21-19(23)22-15-7-8-16(17(9-15)24-2)18-11-20-12-25-18/h3-9,11-12H,10H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[(4-methylphenyl)methyl]urea?
1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[(4-methylphenyl)methyl]urea has a molecular weight of 337.38 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 12051287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).