3-(2-chlorophenyl)-N-(furan-2-ylmethyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide

C22H18ClN3O3 — CID 121084722

IUPAC3-(2-chlorophenyl)-N-(furan-2-ylmethyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N(Cc1ccccn1)Cc1ccco1
InChIInChI=1S/C22H18ClN3O3/c1-15-20(21(25-29-15)18-9-2-3-10-19(18)23)22(27)26(14-17-8-6-12-28-17)13-16-7-4-5-11-24-16/h2-12H,13-14H2,1H3
InChIKeyQSRTYBXPYNXPTF-UHFFFAOYSA-N
MW407.86 g/mol
LogP5.13
Rot. Bonds6

About 3-(2-chlorophenyl)-N-(furan-2-ylmethyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-N-(furan-2-ylmethyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide (PubChem CID 121084722) has the molecular formula C22H18ClN3O3 and a molecular weight of 407.86 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(furan-2-ylmethyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(furan-2-ylmethyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide
PubChem CID121084722
Molecular FormulaC22H18ClN3O3
Molecular Weight407.86 g/mol
Exact Mass407.10
IUPAC Name3-(2-chlorophenyl)-N-(furan-2-ylmethyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N(Cc1ccccn1)Cc1ccco1
InChIInChI=1S/C22H18ClN3O3/c1-15-20(21(25-29-15)18-9-2-3-10-19(18)23)22(27)26(14-17-8-6-12-28-17)13-16-7-4-5-11-24-16/h2-12H,13-14H2,1H3
InChIKeyQSRTYBXPYNXPTF-UHFFFAOYSA-N
XLogP5.13
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.86
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-fluoro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 56724069
N,N-dibenzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 4651566
N-(furan-2-ylmethyl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 121084627
2-(2-chlorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 121084664
5-bromo-2-chloro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084721
3-(2-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110886583
3-(2-chlorophenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 43986338
3-(2-chlorophenyl)-N,N-bis(2-cyanoethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2803491
3-(2-chlorophenyl)-N,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide
CID 29221000
N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 4085276
N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 121084710
3-bromo-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084699

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(furan-2-ylmethyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(furan-2-ylmethyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide (CID 121084722) is 3-(2-chlorophenyl)-N-(furan-2-ylmethyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(furan-2-ylmethyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(furan-2-ylmethyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)N(Cc1ccccn1)Cc1ccco1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(furan-2-ylmethyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is QSRTYBXPYNXPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O3/c1-15-20(21(25-29-15)18-9-2-3-10-19(18)23)22(27)26(14-17-8-6-12-28-17)13-16-7-4-5-11-24-16/h2-12H,13-14H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-N-(furan-2-ylmethyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-(furan-2-ylmethyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 407.86 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(furan-2-ylmethyl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 121084722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).