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

C18H18N4O2 — CID 22986206

IUPAC1-[(4-aminophenyl)methyl]-3-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]urea
SMILESCc1cc(NC(=O)NCc2ccc(N)cc2)ccc1-c1cnco1
InChIInChI=1S/C18H18N4O2/c1-12-8-15(6-7-16(12)17-10-20-11-24-17)22-18(23)21-9-13-2-4-14(19)5-3-13/h2-8,10-11H,9,19H2,1H3,(H2,21,22,23)
InChIKeyMADRJRXDHFXGEJ-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.55
Rot. Bonds4

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

1-[(4-aminophenyl)methyl]-3-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]urea (PubChem CID 22986206) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-[(4-aminophenyl)methyl]-3-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(4-aminophenyl)methyl]-3-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]urea
PubChem CID22986206
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-[(4-aminophenyl)methyl]-3-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]urea
SMILESCc1cc(NC(=O)NCc2ccc(N)cc2)ccc1-c1cnco1
InChIInChI=1S/C18H18N4O2/c1-12-8-15(6-7-16(12)17-10-20-11-24-17)22-18(23)21-9-13-2-4-14(19)5-3-13/h2-8,10-11H,9,19H2,1H3,(H2,21,22,23)
InChIKeyMADRJRXDHFXGEJ-UHFFFAOYSA-N
XLogP3.55
TPSA93.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-[(4-aminophenyl)methyl]-3-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 12051287
1-aminobutan-2-yl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 23546200
[(2R)-1-hydroxybutan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 59925007
1-hydroxybutan-2-yl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 18343082
N-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-oxo-2-phenylacetamide
CID 21361002
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
N-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]formamide
CID 142022966
1-(4-aminophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea
CID 108897076
[(2S)-1-[furan-2-ylmethyl(methyl)amino]propan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 59925030
oxolan-3-yl N-[[3-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-2-oxoethyl]phenyl]methyl]carbamate
CID 20604859
tert-butyl N-[[4-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate
CID 20766988
1-(3,4-dimethylphenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 73388283

Frequently Asked Questions

What is the IUPAC name of 1-[(4-aminophenyl)methyl]-3-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]urea?
The IUPAC name of 1-[(4-aminophenyl)methyl]-3-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]urea (CID 22986206) is 1-[(4-aminophenyl)methyl]-3-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-[(4-aminophenyl)methyl]-3-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]urea?
The canonical SMILES for 1-[(4-aminophenyl)methyl]-3-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]urea is Cc1cc(NC(=O)NCc2ccc(N)cc2)ccc1-c1cnco1.
What is the InChIKey of 1-[(4-aminophenyl)methyl]-3-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]urea?
The InChIKey is MADRJRXDHFXGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-8-15(6-7-16(12)17-10-20-11-24-17)22-18(23)21-9-13-2-4-14(19)5-3-13/h2-8,10-11H,9,19H2,1H3,(H2,21,22,23).
What are the key properties of 1-[(4-aminophenyl)methyl]-3-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]urea?
1-[(4-aminophenyl)methyl]-3-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]urea has a molecular weight of 322.37 g/mol, XLogP of 3.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-aminophenyl)methyl]-3-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]urea is sourced from PubChem (CID 22986206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).