N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-carboxamide

C21H17N3O3 — CID 1254453

IUPACN-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-carboxamide
SMILESCOc1ccc2oc(-c3ccc(C)c(NC(=O)c4cccnc4)c3)nc2c1
InChIInChI=1S/C21H17N3O3/c1-13-5-6-14(10-17(13)23-20(25)15-4-3-9-22-12-15)21-24-18-11-16(26-2)7-8-19(18)27-21/h3-12H,1-2H3,(H,23,25)
InChIKeyUEGSCOFGDKDPBY-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.46
Rot. Bonds4

About N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-carboxamide

N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-carboxamide (PubChem CID 1254453) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-carboxamide
PubChem CID1254453
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC NameN-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-carboxamide
SMILESCOc1ccc2oc(-c3ccc(C)c(NC(=O)c4cccnc4)c3)nc2c1
InChIInChI=1S/C21H17N3O3/c1-13-5-6-14(10-17(13)23-20(25)15-4-3-9-22-12-15)21-24-18-11-16(26-2)7-8-19(18)27-21/h3-12H,1-2H3,(H,23,25)
InChIKeyUEGSCOFGDKDPBY-UHFFFAOYSA-N
XLogP4.46
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-carboxamide (CID 1254453) is N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-carboxamide is COc1ccc2oc(-c3ccc(C)c(NC(=O)c4cccnc4)c3)nc2c1.
What is the InChIKey of N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-carboxamide?
The InChIKey is UEGSCOFGDKDPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-13-5-6-14(10-17(13)23-20(25)15-4-3-9-22-12-15)21-24-18-11-16(26-2)7-8-19(18)27-21/h3-12H,1-2H3,(H,23,25).
What are the key properties of N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-carboxamide?
N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 1254453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).