1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea

C15H19ClN4O2 — CID 118761432

IUPAC1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea
SMILESCc1nc(Cl)ccc1NC(=O)NCCCc1c(C)noc1C
InChIInChI=1S/C15H19ClN4O2/c1-9-12(11(3)22-20-9)5-4-8-17-15(21)19-13-6-7-14(16)18-10(13)2/h6-7H,4-5,8H2,1-3H3,(H2,17,19,21)
InChIKeyLQCGBGKFFJYHOR-UHFFFAOYSA-N
MW322.80 g/mol
LogP3.40
Rot. Bonds5

About 1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea

1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea (PubChem CID 118761432) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is 1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea.

Molecular Properties

Compound Name1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea
PubChem CID118761432
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea
SMILESCc1nc(Cl)ccc1NC(=O)NCCCc1c(C)noc1C
InChIInChI=1S/C15H19ClN4O2/c1-9-12(11(3)22-20-9)5-4-8-17-15(21)19-13-6-7-14(16)18-10(13)2/h6-7H,4-5,8H2,1-3H3,(H2,17,19,21)
InChIKeyLQCGBGKFFJYHOR-UHFFFAOYSA-N
XLogP3.40
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]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-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(1H-imidazol-2-yl)propyl]urea
CID 118773109
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111976785
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[2,3-dimethyl-5-(tetrazol-1-yl)phenyl]urea
CID 118780012
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[3-(1,2,4-oxadiazol-3-yl)phenyl]urea
CID 71973688
1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea
CID 97030496
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 111976858
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111976854
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(2S)-2-thiophen-3-ylpropyl]urea
CID 97030505
2,6-dichloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
CID 71865203
1-(2-chloroethyl)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]urea
CID 57422492
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111976782
5-chloro-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]benzonitrile
CID 133347600

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea?
The IUPAC name of 1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea (CID 118761432) is 1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea.
What is the SMILES notation for 1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea?
The canonical SMILES for 1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea is Cc1nc(Cl)ccc1NC(=O)NCCCc1c(C)noc1C.
What is the InChIKey of 1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea?
The InChIKey is LQCGBGKFFJYHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-9-12(11(3)22-20-9)5-4-8-17-15(21)19-13-6-7-14(16)18-10(13)2/h6-7H,4-5,8H2,1-3H3,(H2,17,19,21).
What are the key properties of 1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea?
1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea has a molecular weight of 322.80 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-methyl-3-pyridinyl)-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea is sourced from PubChem (CID 118761432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).