3-(5-chloro-2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H18ClN3O4 — CID 2973187

IUPAC3-(5-chloro-2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1cc(OC)c(C2=NOC(C(=O)NCc3cccnc3)C2)cc1Cl
InChIInChI=1S/C18H18ClN3O4/c1-24-15-8-16(25-2)13(19)6-12(15)14-7-17(26-22-14)18(23)21-10-11-4-3-5-20-9-11/h3-6,8-9,17H,7,10H2,1-2H3,(H,21,23)
InChIKeyLYCMVYUUMBKSEA-UHFFFAOYSA-N
MW375.81 g/mol
LogP2.56
Rot. Bonds6

About 3-(5-chloro-2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(5-chloro-2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 2973187) has the molecular formula C18H18ClN3O4 and a molecular weight of 375.81 g/mol. Its IUPAC name is 3-(5-chloro-2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(5-chloro-2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID2973187
Molecular FormulaC18H18ClN3O4
Molecular Weight375.81 g/mol
Exact Mass375.10
IUPAC Name3-(5-chloro-2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1cc(OC)c(C2=NOC(C(=O)NCc3cccnc3)C2)cc1Cl
InChIInChI=1S/C18H18ClN3O4/c1-24-15-8-16(25-2)13(19)6-12(15)14-7-17(26-22-14)18(23)21-10-11-4-3-5-20-9-11/h3-6,8-9,17H,7,10H2,1-2H3,(H,21,23)
InChIKeyLYCMVYUUMBKSEA-UHFFFAOYSA-N
XLogP2.56
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(5-chloro-2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 2973187) is 3-(5-chloro-2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(5-chloro-2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(5-chloro-2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1cc(OC)c(C2=NOC(C(=O)NCc3cccnc3)C2)cc1Cl.
What is the InChIKey of 3-(5-chloro-2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is LYCMVYUUMBKSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4/c1-24-15-8-16(25-2)13(19)6-12(15)14-7-17(26-22-14)18(23)21-10-11-4-3-5-20-9-11/h3-6,8-9,17H,7,10H2,1-2H3,(H,21,23).
What are the key properties of 3-(5-chloro-2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(5-chloro-2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 375.81 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 2973187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).