N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-chloropyridine-2-carboxamide

C17H17ClN4O2 — CID 76747754

IUPACN-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-chloropyridine-2-carboxamide
SMILESNC1=NC(CCc2ccc(NC(=O)c3ccc(Cl)cn3)cc2)CO1
InChIInChI=1S/C17H17ClN4O2/c18-12-4-8-15(20-9-12)16(23)21-13-5-1-11(2-6-13)3-7-14-10-24-17(19)22-14/h1-2,4-6,8-9,14H,3,7,10H2,(H2,19,22)(H,21,23)
InChIKeyLRZCCABSRYPKKT-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.63
Rot. Bonds5

About N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-chloropyridine-2-carboxamide

N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-chloropyridine-2-carboxamide (PubChem CID 76747754) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-chloropyridine-2-carboxamide
PubChem CID76747754
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC NameN-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-chloropyridine-2-carboxamide
SMILESNC1=NC(CCc2ccc(NC(=O)c3ccc(Cl)cn3)cc2)CO1
InChIInChI=1S/C17H17ClN4O2/c18-12-4-8-15(20-9-12)16(23)21-13-5-1-11(2-6-13)3-7-14-10-24-17(19)22-14/h1-2,4-6,8-9,14H,3,7,10H2,(H2,19,22)(H,21,23)
InChIKeyLRZCCABSRYPKKT-UHFFFAOYSA-N
XLogP2.63
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-chloropyridine-2-carboxamide?
The IUPAC name of N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-chloropyridine-2-carboxamide (CID 76747754) is N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-chloropyridine-2-carboxamide.
What is the SMILES notation for N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-chloropyridine-2-carboxamide?
The canonical SMILES for N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-chloropyridine-2-carboxamide is NC1=NC(CCc2ccc(NC(=O)c3ccc(Cl)cn3)cc2)CO1.
What is the InChIKey of N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-chloropyridine-2-carboxamide?
The InChIKey is LRZCCABSRYPKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c18-12-4-8-15(20-9-12)16(23)21-13-5-1-11(2-6-13)3-7-14-10-24-17(19)22-14/h1-2,4-6,8-9,14H,3,7,10H2,(H2,19,22)(H,21,23).
What are the key properties of N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-chloropyridine-2-carboxamide?
N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-chloropyridine-2-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-chloropyridine-2-carboxamide is sourced from PubChem (CID 76747754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).