1-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylprop-2-enyl)urea

C15H17N3O2 — CID 86817334

IUPAC1-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylprop-2-enyl)urea
SMILESC=C(C)CNC(=O)Nc1cccc(-c2ncc(C)o2)c1
InChIInChI=1S/C15H17N3O2/c1-10(2)8-17-15(19)18-13-6-4-5-12(7-13)14-16-9-11(3)20-14/h4-7,9H,1,8H2,2-3H3,(H2,17,18,19)
InChIKeyNQCSMHKHDRGCMN-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.35
Rot. Bonds4

About 1-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylprop-2-enyl)urea

1-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylprop-2-enyl)urea (PubChem CID 86817334) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylprop-2-enyl)urea.

Molecular Properties

Compound Name1-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylprop-2-enyl)urea
PubChem CID86817334
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylprop-2-enyl)urea
SMILESC=C(C)CNC(=O)Nc1cccc(-c2ncc(C)o2)c1
InChIInChI=1S/C15H17N3O2/c1-10(2)8-17-15(19)18-13-6-4-5-12(7-13)14-16-9-11(3)20-14/h4-7,9H,1,8H2,2-3H3,(H2,17,18,19)
InChIKeyNQCSMHKHDRGCMN-UHFFFAOYSA-N
XLogP3.35
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(2-hydroxycyclopentyl)methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea
CID 71992244
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea
CID 71870299
1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea
CID 111424928
tert-butyl N-[2-[3-(5-methyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]carbamate
CID 56784550
1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea
CID 114619451
1-[3-[7-(5-methyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59320919
3-amino-N-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]pyrazine-2-carboxamide
CID 136524529
4-ethoxy-3-methyl-N-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]benzamide
CID 86938322
3-(5-methyl-1,3-oxazol-2-yl)-N-propan-2-ylaniline
CID 115885071
[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methanol
CID 67252704
1-(3-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 46387996
1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylpropyl)urea
CID 60577786

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylprop-2-enyl)urea?
The IUPAC name of 1-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylprop-2-enyl)urea (CID 86817334) is 1-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylprop-2-enyl)urea.
What is the SMILES notation for 1-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylprop-2-enyl)urea?
The canonical SMILES for 1-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylprop-2-enyl)urea is C=C(C)CNC(=O)Nc1cccc(-c2ncc(C)o2)c1.
What is the InChIKey of 1-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylprop-2-enyl)urea?
The InChIKey is NQCSMHKHDRGCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10(2)8-17-15(19)18-13-6-4-5-12(7-13)14-16-9-11(3)20-14/h4-7,9H,1,8H2,2-3H3,(H2,17,18,19).
What are the key properties of 1-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylprop-2-enyl)urea?
1-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylprop-2-enyl)urea has a molecular weight of 271.32 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylprop-2-enyl)urea is sourced from PubChem (CID 86817334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).