5-methyl-3-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide

C23H20N4O2 — CID 2738482

IUPAC5-methyl-3-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)N(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C23H20N4O2/c1-17-21(22(26-29-17)18-9-3-2-4-10-18)23(28)27(15-19-11-5-7-13-24-19)16-20-12-6-8-14-25-20/h2-14H,15-16H2,1H3
InChIKeyBDGPWLXRDVOTRL-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.28
Rot. Bonds6

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

5-methyl-3-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide (PubChem CID 2738482) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 5-methyl-3-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-3-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide
PubChem CID2738482
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name5-methyl-3-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)N(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C23H20N4O2/c1-17-21(22(26-29-17)18-9-3-2-4-10-18)23(28)27(15-19-11-5-7-13-24-19)16-20-12-6-8-14-25-20/h2-14H,15-16H2,1H3
InChIKeyBDGPWLXRDVOTRL-UHFFFAOYSA-N
XLogP4.28
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-3-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide (CID 2738482) is 5-methyl-3-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-3-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-3-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)N(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of 5-methyl-3-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is BDGPWLXRDVOTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-17-21(22(26-29-17)18-9-3-2-4-10-18)23(28)27(15-19-11-5-7-13-24-19)16-20-12-6-8-14-25-20/h2-14H,15-16H2,1H3.
What are the key properties of 5-methyl-3-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide?
5-methyl-3-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-N,N-bis(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2738482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).