[4-(1,3-oxazol-4-yl)phenyl]methyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid

C14H13N3O4 — CID 90425364

IUPAC[4-(1,3-oxazol-4-yl)phenyl]methyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid
SMILESO=C1NC[C@@H]1N(Cc1ccc(-c2cocn2)cc1)C(=O)O
InChIInChI=1S/C14H13N3O4/c18-13-12(5-15-13)17(14(19)20)6-9-1-3-10(4-2-9)11-7-21-8-16-11/h1-4,7-8,12H,5-6H2,(H,15,18)(H,19,20)/t12-/m0/s1
InChIKeyVMWUWNRNUCXAKT-LBPRGKRZSA-N
MW287.28 g/mol
LogP1.32
Rot. Bonds4

About [4-(1,3-oxazol-4-yl)phenyl]methyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid

[4-(1,3-oxazol-4-yl)phenyl]methyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid (PubChem CID 90425364) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is [4-(1,3-oxazol-4-yl)phenyl]methyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[4-(1,3-oxazol-4-yl)phenyl]methyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid
PubChem CID90425364
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name[4-(1,3-oxazol-4-yl)phenyl]methyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid
SMILESO=C1NC[C@@H]1N(Cc1ccc(-c2cocn2)cc1)C(=O)O
InChIInChI=1S/C14H13N3O4/c18-13-12(5-15-13)17(14(19)20)6-9-1-3-10(4-2-9)11-7-21-8-16-11/h1-4,7-8,12H,5-6H2,(H,15,18)(H,19,20)/t12-/m0/s1
InChIKeyVMWUWNRNUCXAKT-LBPRGKRZSA-N
XLogP1.32
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-fluorophenyl)phenyl]methyl-(2-oxoazetidin-3-yl)carbamic acid
CID 118915605
(3-fluoro-4-phenylphenyl)methyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid
CID 118915559
4-(1,3-oxazol-4-yl)benzoic acid
CID 69180144
(2-oxoazetidin-3-yl)-(4-phenylbutyl)carbamic acid
CID 90425035
octyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid
CID 118915637
hexyl-(2-oxoazetidin-3-yl)carbamic acid
CID 90424537
3-cyclopentylpropyl-(2-oxoazetidin-3-yl)carbamic acid
CID 90424931
4,4,4-trifluoro-1-[4-(1,3-oxazol-4-yl)phenyl]butane-1,3-dione
CID 22316772
3-cyclohexylpropyl-(2-oxoazetidin-3-yl)carbamic acid
CID 90424416
[(3R)-2,2-dimethyl-4-oxoazetidin-3-yl]-[(4-phenylphenyl)methyl]carbamic acid
CID 90424935
(6-phenyl-3-pyridinyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate
CID 131746508
N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]oxane-4-carboxamide
CID 58727334

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-oxazol-4-yl)phenyl]methyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid?
The IUPAC name of [4-(1,3-oxazol-4-yl)phenyl]methyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid (CID 90425364) is [4-(1,3-oxazol-4-yl)phenyl]methyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid.
What is the SMILES notation for [4-(1,3-oxazol-4-yl)phenyl]methyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid?
The canonical SMILES for [4-(1,3-oxazol-4-yl)phenyl]methyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid is O=C1NC[C@@H]1N(Cc1ccc(-c2cocn2)cc1)C(=O)O.
What is the InChIKey of [4-(1,3-oxazol-4-yl)phenyl]methyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid?
The InChIKey is VMWUWNRNUCXAKT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H13N3O4/c18-13-12(5-15-13)17(14(19)20)6-9-1-3-10(4-2-9)11-7-21-8-16-11/h1-4,7-8,12H,5-6H2,(H,15,18)(H,19,20)/t12-/m0/s1.
What are the key properties of [4-(1,3-oxazol-4-yl)phenyl]methyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid?
[4-(1,3-oxazol-4-yl)phenyl]methyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid has a molecular weight of 287.28 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-oxazol-4-yl)phenyl]methyl-[(3S)-2-oxoazetidin-3-yl]carbamic acid is sourced from PubChem (CID 90425364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).