1-(3-hydroxy-4-methylpentyl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea

C16H22N4O3 — CID 111474811

IUPAC1-(3-hydroxy-4-methylpentyl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea
SMILESCc1ccc(-c2nnco2)cc1NC(=O)NCCC(O)C(C)C
InChIInChI=1S/C16H22N4O3/c1-10(2)14(21)6-7-17-16(22)19-13-8-12(5-4-11(13)3)15-20-18-9-23-15/h4-5,8-10,14,21H,6-7H2,1-3H3,(H2,17,19,22)
InChIKeyUALXDWDVWARZLQ-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.57
Rot. Bonds6

About 1-(3-hydroxy-4-methylpentyl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea

1-(3-hydroxy-4-methylpentyl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea (PubChem CID 111474811) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-(3-hydroxy-4-methylpentyl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3-hydroxy-4-methylpentyl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea
PubChem CID111474811
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name1-(3-hydroxy-4-methylpentyl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea
SMILESCc1ccc(-c2nnco2)cc1NC(=O)NCCC(O)C(C)C
InChIInChI=1S/C16H22N4O3/c1-10(2)14(21)6-7-17-16(22)19-13-8-12(5-4-11(13)3)15-20-18-9-23-15/h4-5,8-10,14,21H,6-7H2,1-3H3,(H2,17,19,22)
InChIKeyUALXDWDVWARZLQ-UHFFFAOYSA-N
XLogP2.57
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(3-hydroxy-4-methylpentyl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-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

2-amino-3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]butanamide
CID 43706124
1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 95773525
1-(1-hydroxypentan-3-yl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 111453598
2-amino-3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pentanamide
CID 43706136
5-amino-4-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pentanamide
CID 82013593
3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 62230630
2-(methylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 43706139
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 111435014
2,2,2-trifluoro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 63374700
3-chloro-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 63679608
4-(methylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]butanamide
CID 60842599
1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 86799739

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-4-methylpentyl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea?
The IUPAC name of 1-(3-hydroxy-4-methylpentyl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea (CID 111474811) is 1-(3-hydroxy-4-methylpentyl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-(3-hydroxy-4-methylpentyl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea?
The canonical SMILES for 1-(3-hydroxy-4-methylpentyl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea is Cc1ccc(-c2nnco2)cc1NC(=O)NCCC(O)C(C)C.
What is the InChIKey of 1-(3-hydroxy-4-methylpentyl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea?
The InChIKey is UALXDWDVWARZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-10(2)14(21)6-7-17-16(22)19-13-8-12(5-4-11(13)3)15-20-18-9-23-15/h4-5,8-10,14,21H,6-7H2,1-3H3,(H2,17,19,22).
What are the key properties of 1-(3-hydroxy-4-methylpentyl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea?
1-(3-hydroxy-4-methylpentyl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea has a molecular weight of 318.38 g/mol, XLogP of 2.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-4-methylpentyl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea is sourced from PubChem (CID 111474811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).