1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(2-hydroxy-2-phenylpropyl)urea

C16H21N3O3 — CID 109397223

IUPAC1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(2-hydroxy-2-phenylpropyl)urea
SMILESCCc1noc(C)c1NC(=O)NCC(C)(O)c1ccccc1
InChIInChI=1S/C16H21N3O3/c1-4-13-14(11(2)22-19-13)18-15(20)17-10-16(3,21)12-8-6-5-7-9-12/h5-9,21H,4,10H2,1-3H3,(H2,17,18,20)
InChIKeyCVWQPDHJCZABRL-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.57
Rot. Bonds5

About 1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(2-hydroxy-2-phenylpropyl)urea

1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(2-hydroxy-2-phenylpropyl)urea (PubChem CID 109397223) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(2-hydroxy-2-phenylpropyl)urea.

Molecular Properties

Compound Name1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(2-hydroxy-2-phenylpropyl)urea
PubChem CID109397223
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(2-hydroxy-2-phenylpropyl)urea
SMILESCCc1noc(C)c1NC(=O)NCC(C)(O)c1ccccc1
InChIInChI=1S/C16H21N3O3/c1-4-13-14(11(2)22-19-13)18-15(20)17-10-16(3,21)12-8-6-5-7-9-12/h5-9,21H,4,10H2,1-3H3,(H2,17,18,20)
InChIKeyCVWQPDHJCZABRL-UHFFFAOYSA-N
XLogP2.57
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea
CID 109397194
1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(5-hydroxy-4,4-dimethylpentyl)urea
CID 109397206
N-(2-hydroxy-2-phenylpropyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 111335083
(2R,3S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide
CID 124568403
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335717
(3-ethyl-5-phenyl-1,2-oxazol-4-yl)carbamic acid
CID 68885744
1-(2-hydroxy-2-phenylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 121112096
1-[(1-tert-butylpyrrolidin-3-yl)methyl]-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea
CID 126821088
1-[2-(difluoromethoxy)-6-methylphenyl]-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea
CID 75457913
3-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 121111972
1-[4-(dimethylamino)phenyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335559
1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335622

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(2-hydroxy-2-phenylpropyl)urea?
The IUPAC name of 1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(2-hydroxy-2-phenylpropyl)urea (CID 109397223) is 1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(2-hydroxy-2-phenylpropyl)urea.
What is the SMILES notation for 1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(2-hydroxy-2-phenylpropyl)urea?
The canonical SMILES for 1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(2-hydroxy-2-phenylpropyl)urea is CCc1noc(C)c1NC(=O)NCC(C)(O)c1ccccc1.
What is the InChIKey of 1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(2-hydroxy-2-phenylpropyl)urea?
The InChIKey is CVWQPDHJCZABRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-13-14(11(2)22-19-13)18-15(20)17-10-16(3,21)12-8-6-5-7-9-12/h5-9,21H,4,10H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(2-hydroxy-2-phenylpropyl)urea?
1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(2-hydroxy-2-phenylpropyl)urea has a molecular weight of 303.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(2-hydroxy-2-phenylpropyl)urea is sourced from PubChem (CID 109397223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).