5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)azetidin-3-yl]-1,2-oxazole-3-carboxamide

C18H21N3O3 — CID 129314817

IUPAC5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)azetidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CN(C(CO)c2ccccc2)C1)c1cc(C2CC2)on1
InChIInChI=1S/C18H21N3O3/c22-11-16(12-4-2-1-3-5-12)21-9-14(10-21)19-18(23)15-8-17(24-20-15)13-6-7-13/h1-5,8,13-14,16,22H,6-7,9-11H2,(H,19,23)
InChIKeyIBIQDCYERHGSSO-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.70
Rot. Bonds6

About 5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)azetidin-3-yl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)azetidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 129314817) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)azetidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)azetidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID129314817
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)azetidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CN(C(CO)c2ccccc2)C1)c1cc(C2CC2)on1
InChIInChI=1S/C18H21N3O3/c22-11-16(12-4-2-1-3-5-12)21-9-14(10-21)19-18(23)15-8-17(24-20-15)13-6-7-13/h1-5,8,13-14,16,22H,6-7,9-11H2,(H,19,23)
InChIKeyIBIQDCYERHGSSO-UHFFFAOYSA-N
XLogP1.70
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)azetidin-3-yl]-1,2-oxazole-3-carboxamide 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

5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386779
5-cyclopropyl-N-[(3S,4S)-4-methyl-1-(1-phenylpropyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386614
5-cyclopropyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 119041845
N-(2-amino-2-phenylethyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119529507
N-(1-benzylsulfonylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 122140778
N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 91624378
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 60553549
5-cyclopropyl-N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386265
N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130395242
5-cyclopropyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1,2-oxazole-3-carboxamide
CID 61368931
5-cyclopropyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1,2-oxazole-3-carboxamide
CID 130386254
5-cyclopropyl-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 96997695

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)azetidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)azetidin-3-yl]-1,2-oxazole-3-carboxamide (CID 129314817) is 5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)azetidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)azetidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)azetidin-3-yl]-1,2-oxazole-3-carboxamide is O=C(NC1CN(C(CO)c2ccccc2)C1)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)azetidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is IBIQDCYERHGSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-11-16(12-4-2-1-3-5-12)21-9-14(10-21)19-18(23)15-8-17(24-20-15)13-6-7-13/h1-5,8,13-14,16,22H,6-7,9-11H2,(H,19,23).
What are the key properties of 5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)azetidin-3-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)azetidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)azetidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 129314817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).