1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea

C16H29N3O3 — CID 109390007

IUPAC1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
SMILESCc1noc(C)c1C(C)NC(=O)NCC(C)(C)C(O)C(C)C
InChIInChI=1S/C16H29N3O3/c1-9(2)14(20)16(6,7)8-17-15(21)18-10(3)13-11(4)19-22-12(13)5/h9-10,14,20H,8H2,1-7H3,(H2,17,18,21)
InChIKeyXIOGXNWYNXMDHH-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.69
Rot. Bonds6

About 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea

1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea (PubChem CID 109390007) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea.

Molecular Properties

Compound Name1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
PubChem CID109390007
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
SMILESCc1noc(C)c1C(C)NC(=O)NCC(C)(C)C(O)C(C)C
InChIInChI=1S/C16H29N3O3/c1-9(2)14(20)16(6,7)8-17-15(21)18-10(3)13-11(4)19-22-12(13)5/h9-10,14,20H,8H2,1-7H3,(H2,17,18,21)
InChIKeyXIOGXNWYNXMDHH-UHFFFAOYSA-N
XLogP2.69
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)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-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]acetic acid
CID 79242440
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea
CID 111481656
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea
CID 115626660
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111481658
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]-3,3-dimethylbutanoic acid
CID 116537298
1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(1-phenylethyl)urea
CID 109389617
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)propanamide
CID 109380881
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111174196
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxypentanamide
CID 79237770
3-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propanamide
CID 79237007
1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[(2S)-1-hydroxybutan-2-yl]urea
CID 99856758
N-(3-hydroxy-2,2,4-trimethylpentyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 109380773

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea?
The IUPAC name of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea (CID 109390007) is 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea.
What is the SMILES notation for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea?
The canonical SMILES for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea is Cc1noc(C)c1C(C)NC(=O)NCC(C)(C)C(O)C(C)C.
What is the InChIKey of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea?
The InChIKey is XIOGXNWYNXMDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-9(2)14(20)16(6,7)8-17-15(21)18-10(3)13-11(4)19-22-12(13)5/h9-10,14,20H,8H2,1-7H3,(H2,17,18,21).
What are the key properties of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea?
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea has a molecular weight of 311.43 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea is sourced from PubChem (CID 109390007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).