1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(1-hydroxypropan-2-yl)urea

C12H21N3O3 — CID 111439093

IUPAC1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(1-hydroxypropan-2-yl)urea
SMILESCc1noc(C)c1CC(C)NC(=O)NC(C)CO
InChIInChI=1S/C12H21N3O3/c1-7(13-12(17)14-8(2)6-16)5-11-9(3)15-18-10(11)4/h7-8,16H,5-6H2,1-4H3,(H2,13,14,17)
InChIKeyHRCZHNSZZKDMRZ-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.90
Rot. Bonds5

About 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(1-hydroxypropan-2-yl)urea

1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(1-hydroxypropan-2-yl)urea (PubChem CID 111439093) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(1-hydroxypropan-2-yl)urea.

Molecular Properties

Compound Name1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(1-hydroxypropan-2-yl)urea
PubChem CID111439093
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(1-hydroxypropan-2-yl)urea
SMILESCc1noc(C)c1CC(C)NC(=O)NC(C)CO
InChIInChI=1S/C12H21N3O3/c1-7(13-12(17)14-8(2)6-16)5-11-9(3)15-18-10(11)4/h7-8,16H,5-6H2,1-4H3,(H2,13,14,17)
InChIKeyHRCZHNSZZKDMRZ-UHFFFAOYSA-N
XLogP0.90
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
CID 111795023
2,4-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-hydroxybenzamide
CID 71860642
5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylcarbamoyl]furan-2-carboxylic acid
CID 120692172
1-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]urea
CID 97065871
1-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(4-ethynyl-2,6-difluorophenyl)urea
CID 97328707
1-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(4-ethynyl-2,6-difluorophenyl)urea
CID 97328708
N-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 99697784
(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoic acid
CID 92845870
1-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 95774144
1-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]urea
CID 124859901
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(2-oxo-3H-1,3-benzoxazol-7-yl)urea
CID 126814377
1-benzyl-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1-(2-hydroxyethyl)urea
CID 111439082

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(1-hydroxypropan-2-yl)urea?
The IUPAC name of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(1-hydroxypropan-2-yl)urea (CID 111439093) is 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(1-hydroxypropan-2-yl)urea.
What is the SMILES notation for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(1-hydroxypropan-2-yl)urea?
The canonical SMILES for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(1-hydroxypropan-2-yl)urea is Cc1noc(C)c1CC(C)NC(=O)NC(C)CO.
What is the InChIKey of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(1-hydroxypropan-2-yl)urea?
The InChIKey is HRCZHNSZZKDMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-7(13-12(17)14-8(2)6-16)5-11-9(3)15-18-10(11)4/h7-8,16H,5-6H2,1-4H3,(H2,13,14,17).
What are the key properties of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(1-hydroxypropan-2-yl)urea?
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(1-hydroxypropan-2-yl)urea has a molecular weight of 255.32 g/mol, XLogP of 0.90, 5 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)propan-2-yl]-3-(1-hydroxypropan-2-yl)urea is sourced from PubChem (CID 111439093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).