5-cyclopropyl-N-[(2R)-oxan-2-yl]oxy-2-phenyl-1,3-oxazole-4-carboxamide

C18H20N2O4 — CID 99621538

IUPAC5-cyclopropyl-N-[(2R)-oxan-2-yl]oxy-2-phenyl-1,3-oxazole-4-carboxamide
SMILESO=C(NO[C@@H]1CCCCO1)c1nc(-c2ccccc2)oc1C1CC1
InChIInChI=1S/C18H20N2O4/c21-17(20-24-14-8-4-5-11-22-14)15-16(12-9-10-12)23-18(19-15)13-6-2-1-3-7-13/h1-3,6-7,12,14H,4-5,8-11H2,(H,20,21)/t14-/m1/s1
InChIKeyJVULNSFIMGMDKC-CQSZACIVSA-N
MW328.37 g/mol
LogP3.41
Rot. Bonds5

About 5-cyclopropyl-N-[(2R)-oxan-2-yl]oxy-2-phenyl-1,3-oxazole-4-carboxamide

5-cyclopropyl-N-[(2R)-oxan-2-yl]oxy-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 99621538) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(2R)-oxan-2-yl]oxy-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(2R)-oxan-2-yl]oxy-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID99621538
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name5-cyclopropyl-N-[(2R)-oxan-2-yl]oxy-2-phenyl-1,3-oxazole-4-carboxamide
SMILESO=C(NO[C@@H]1CCCCO1)c1nc(-c2ccccc2)oc1C1CC1
InChIInChI=1S/C18H20N2O4/c21-17(20-24-14-8-4-5-11-22-14)15-16(12-9-10-12)23-18(19-15)13-6-2-1-3-7-13/h1-3,6-7,12,14H,4-5,8-11H2,(H,20,21)/t14-/m1/s1
InChIKeyJVULNSFIMGMDKC-CQSZACIVSA-N
XLogP3.41
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(cyclopentylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 86841240
5-cycloheptyl-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 62586319
N-(2-cyclopentyl-2-hydroxyethyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 111426071
N-(oxan-2-yloxy)-3-phenylthiophene-2-carboxamide
CID 60613305
5-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 86878680
N-[(2R)-oxan-2-yl]oxy-4-oxo-3-phenylphthalazine-1-carboxamide
CID 52536335
5-cyclopropyl-N-(oxolan-3-ylmethylsulfonyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 102560873
N-[(2S)-oxan-2-yl]oxy-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 52536018
2-methyl-N-(oxan-2-yloxy)-1-phenylprop-1-en-1-amine
CID 117061304
N-(oxan-2-yloxy)-2-phenoxybenzamide
CID 60612521
N-[4-(2-cyanopropan-2-yl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 86841134
5-cyclopropyl-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 86875245

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(2R)-oxan-2-yl]oxy-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(2R)-oxan-2-yl]oxy-2-phenyl-1,3-oxazole-4-carboxamide (CID 99621538) is 5-cyclopropyl-N-[(2R)-oxan-2-yl]oxy-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(2R)-oxan-2-yl]oxy-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(2R)-oxan-2-yl]oxy-2-phenyl-1,3-oxazole-4-carboxamide is O=C(NO[C@@H]1CCCCO1)c1nc(-c2ccccc2)oc1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-[(2R)-oxan-2-yl]oxy-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is JVULNSFIMGMDKC-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-17(20-24-14-8-4-5-11-22-14)15-16(12-9-10-12)23-18(19-15)13-6-2-1-3-7-13/h1-3,6-7,12,14H,4-5,8-11H2,(H,20,21)/t14-/m1/s1.
What are the key properties of 5-cyclopropyl-N-[(2R)-oxan-2-yl]oxy-2-phenyl-1,3-oxazole-4-carboxamide?
5-cyclopropyl-N-[(2R)-oxan-2-yl]oxy-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(2R)-oxan-2-yl]oxy-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 99621538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).