N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]pyridine-3-carboxamide

C18H17N3O2 — CID 84513228

IUPACN-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]pyridine-3-carboxamide
SMILESCc1nc(-c2ccccc2)c(CCNC(=O)c2cccnc2)o1
InChIInChI=1S/C18H17N3O2/c1-13-21-17(14-6-3-2-4-7-14)16(23-13)9-11-20-18(22)15-8-5-10-19-12-15/h2-8,10,12H,9,11H2,1H3,(H,20,22)
InChIKeyCZTQJRYTNMIBFL-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.02
Rot. Bonds5

About N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]pyridine-3-carboxamide

N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]pyridine-3-carboxamide (PubChem CID 84513228) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]pyridine-3-carboxamide
PubChem CID84513228
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]pyridine-3-carboxamide
SMILESCc1nc(-c2ccccc2)c(CCNC(=O)c2cccnc2)o1
InChIInChI=1S/C18H17N3O2/c1-13-21-17(14-6-3-2-4-7-14)16(23-13)9-11-20-18(22)15-8-5-10-19-12-15/h2-8,10,12H,9,11H2,1H3,(H,20,22)
InChIKeyCZTQJRYTNMIBFL-UHFFFAOYSA-N
XLogP3.02
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide
CID 110671393
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-3-carboxamide
CID 110714802
2-(2-methoxyphenyl)-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]acetamide
CID 110671433
N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]oxolane-2-carboxamide
CID 110671382
N-[2-(2-hydroxyphenyl)ethyl]pyridine-3-carboxamide
CID 67172955
6-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]pyridine-2-carboxamide
CID 39022305
N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 2985921
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481
N-(5-iodopentyl)pyridine-3-carboxamide
CID 107322434
2-methyl-3-(pyridine-3-carbonylamino)propanoic acid
CID 53211442
N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]pyridine-3-carboxamide
CID 53163111
N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pyridine-3-carboxamide
CID 110321949

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]pyridine-3-carboxamide (CID 84513228) is N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]pyridine-3-carboxamide is Cc1nc(-c2ccccc2)c(CCNC(=O)c2cccnc2)o1.
What is the InChIKey of N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is CZTQJRYTNMIBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-13-21-17(14-6-3-2-4-7-14)16(23-13)9-11-20-18(22)15-8-5-10-19-12-15/h2-8,10,12H,9,11H2,1H3,(H,20,22).
What are the key properties of N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]pyridine-3-carboxamide?
N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 84513228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).