1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(3-hydroxybutyl)urea

C10H17N3O3 — CID 111336661

IUPAC1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(3-hydroxybutyl)urea
SMILESCc1nc(NC(=O)NCCC(C)O)oc1C
InChIInChI=1S/C10H17N3O3/c1-6(14)4-5-11-9(15)13-10-12-7(2)8(3)16-10/h6,14H,4-5H2,1-3H3,(H2,11,12,13,15)
InChIKeyWVMMGQBCZGFKCI-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.18
Rot. Bonds4

About 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(3-hydroxybutyl)urea

1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(3-hydroxybutyl)urea (PubChem CID 111336661) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(3-hydroxybutyl)urea.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(3-hydroxybutyl)urea
PubChem CID111336661
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(3-hydroxybutyl)urea
SMILESCc1nc(NC(=O)NCCC(C)O)oc1C
InChIInChI=1S/C10H17N3O3/c1-6(14)4-5-11-9(15)13-10-12-7(2)8(3)16-10/h6,14H,4-5H2,1-3H3,(H2,11,12,13,15)
InChIKeyWVMMGQBCZGFKCI-UHFFFAOYSA-N
XLogP1.18
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(3-hydroxybutyl)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-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(5-hydroxy-4,4-dimethylpentyl)urea
CID 111486789
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 75405494
N-(4,5-dimethyl-1,3-oxazol-2-yl)propanamide
CID 21323661
1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea
CID 111115016
1-(3-hydroxybutyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 71931128
2-amino-N-(3-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 64910587
1-(3-hydroxybutyl)-3-naphthalen-2-ylurea
CID 111336742
N-(3-hydroxybutyl)-5,6-dimethyl-1-benzofuran-2-carboxamide
CID 111470191
(2S)-4-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoylamino]-2-hydroxybutanoic acid
CID 114007761
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(2S)-3,3-dimethyl-1-phenylbutan-2-yl]urea
CID 97317222
3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)-1-methylurea
CID 110907890
5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pentan-2-ol
CID 106130930

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(3-hydroxybutyl)urea?
The IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(3-hydroxybutyl)urea (CID 111336661) is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(3-hydroxybutyl)urea.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(3-hydroxybutyl)urea?
The canonical SMILES for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(3-hydroxybutyl)urea is Cc1nc(NC(=O)NCCC(C)O)oc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(3-hydroxybutyl)urea?
The InChIKey is WVMMGQBCZGFKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-6(14)4-5-11-9(15)13-10-12-7(2)8(3)16-10/h6,14H,4-5H2,1-3H3,(H2,11,12,13,15).
What are the key properties of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(3-hydroxybutyl)urea?
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(3-hydroxybutyl)urea has a molecular weight of 227.26 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(3-hydroxybutyl)urea is sourced from PubChem (CID 111336661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).