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

C15H20N4O3 — CID 111453598

IUPAC1-(1-hydroxypentan-3-yl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea
SMILESCCC(CCO)NC(=O)Nc1cc(-c2nnco2)ccc1C
InChIInChI=1S/C15H20N4O3/c1-3-12(6-7-20)17-15(21)18-13-8-11(5-4-10(13)2)14-19-16-9-22-14/h4-5,8-9,12,20H,3,6-7H2,1-2H3,(H2,17,18,21)
InChIKeyOJKLCKPAZHTEEK-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.33
Rot. Bonds6

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

1-(1-hydroxypentan-3-yl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea (PubChem CID 111453598) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-(1-hydroxypentan-3-yl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(1-hydroxypentan-3-yl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea
PubChem CID111453598
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name1-(1-hydroxypentan-3-yl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea
SMILESCCC(CCO)NC(=O)Nc1cc(-c2nnco2)ccc1C
InChIInChI=1S/C15H20N4O3/c1-3-12(6-7-20)17-15(21)18-13-8-11(5-4-10(13)2)14-19-16-9-22-14/h4-5,8-9,12,20H,3,6-7H2,1-2H3,(H2,17,18,21)
InChIKeyOJKLCKPAZHTEEK-UHFFFAOYSA-N
XLogP2.33
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 111435014
2-amino-3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pentanamide
CID 43706136
1-(3-hydroxy-4-methylpentyl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 111474811
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
2-amino-3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]butanamide
CID 43706124
N-heptan-3-yl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 63946916
5-amino-4-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pentanamide
CID 82013593
1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 86799739
2,2,2-trifluoro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 63374700
1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 95773525
3-chloro-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 63679608

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypentan-3-yl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea?
The IUPAC name of 1-(1-hydroxypentan-3-yl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea (CID 111453598) is 1-(1-hydroxypentan-3-yl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-(1-hydroxypentan-3-yl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea?
The canonical SMILES for 1-(1-hydroxypentan-3-yl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea is CCC(CCO)NC(=O)Nc1cc(-c2nnco2)ccc1C.
What is the InChIKey of 1-(1-hydroxypentan-3-yl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea?
The InChIKey is OJKLCKPAZHTEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-3-12(6-7-20)17-15(21)18-13-8-11(5-4-10(13)2)14-19-16-9-22-14/h4-5,8-9,12,20H,3,6-7H2,1-2H3,(H2,17,18,21).
What are the key properties of 1-(1-hydroxypentan-3-yl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea?
1-(1-hydroxypentan-3-yl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea has a molecular weight of 304.35 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypentan-3-yl)-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea is sourced from PubChem (CID 111453598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).