3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C15H17ClN2O3 — CID 2974916

IUPAC3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCC1CCCO1)C1CC(c2ccccc2Cl)=NO1
InChIInChI=1S/C15H17ClN2O3/c16-12-6-2-1-5-11(12)13-8-14(21-18-13)15(19)17-9-10-4-3-7-20-10/h1-2,5-6,10,14H,3-4,7-9H2,(H,17,19)
InChIKeySNWGGBACDLMBJF-UHFFFAOYSA-N
MW308.76 g/mol
LogP2.13
Rot. Bonds4

About 3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 2974916) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.76 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID2974916
Molecular FormulaC15H17ClN2O3
Molecular Weight308.76 g/mol
Exact Mass308.09
IUPAC Name3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCC1CCCO1)C1CC(c2ccccc2Cl)=NO1
InChIInChI=1S/C15H17ClN2O3/c16-12-6-2-1-5-11(12)13-8-14(21-18-13)15(19)17-9-10-4-3-7-20-10/h1-2,5-6,10,14H,3-4,7-9H2,(H,17,19)
InChIKeySNWGGBACDLMBJF-UHFFFAOYSA-N
XLogP2.13
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 2974916) is 3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NCC1CCCO1)C1CC(c2ccccc2Cl)=NO1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is SNWGGBACDLMBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c16-12-6-2-1-5-11(12)13-8-14(21-18-13)15(19)17-9-10-4-3-7-20-10/h1-2,5-6,10,14H,3-4,7-9H2,(H,17,19).
What are the key properties of 3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 308.76 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 2974916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).