N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

C13H14ClN3O3 — CID 99828961

IUPACN-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)N[C@@H](C)c2ccc(Cl)cn2)no1
InChIInChI=1S/C13H14ClN3O3/c1-8(11-4-3-9(14)6-15-11)16-13(18)12-5-10(7-19-2)20-17-12/h3-6,8H,7H2,1-2H3,(H,16,18)/t8-/m0/s1
InChIKeySTKQRQCLRDCUDY-QMMMGPOBSA-N
MW295.73 g/mol
LogP2.36
Rot. Bonds5

About N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 99828961) has the molecular formula C13H14ClN3O3 and a molecular weight of 295.73 g/mol. Its IUPAC name is N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID99828961
Molecular FormulaC13H14ClN3O3
Molecular Weight295.73 g/mol
Exact Mass295.07
IUPAC NameN-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)N[C@@H](C)c2ccc(Cl)cn2)no1
InChIInChI=1S/C13H14ClN3O3/c1-8(11-4-3-9(14)6-15-11)16-13(18)12-5-10(7-19-2)20-17-12/h3-6,8H,7H2,1-2H3,(H,16,18)/t8-/m0/s1
InChIKeySTKQRQCLRDCUDY-QMMMGPOBSA-N
XLogP2.36
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloropyridin-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 3559433
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[1-methyl-2-(2-pyrazinyl)ethyl]-3-isoxazolecarboxamide
CID 24790170
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-(4-pyridinyl)propyl]-3-isoxazolecarboxamide
CID 24790679
3-Chloro-5-({3-[(3-propoxy-1-piperidinyl)carbonyl]-5-isoxazolyl}methoxy)pyridine
CID 24791113
5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[1-methyl-2-(2-pyrazinyl)ethyl]-3-isoxazolecarboxamide
CID 24793955
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[1-methyl-2-(3-pyridinyl)ethyl]-3-isoxazolecarboxamide
CID 24816691
5-{[(5-chloro-3-pyridinyl)oxy]methyl}-N-[1-methyl-2-(3-methyl-2-pyridinyl)ethyl]-3-isoxazolecarboxamide
CID 24819312
N-cyclohexyl-5-[(6-methyl-3-pyridinyl)oxymethyl]-3-isoxazolecarboxamide
CID 24791132
N-(2-chloropyridin-3-yl)-5-propyl-1,2-oxazole-3-carboxamide
CID 9551058
5-[(2-chloro-4-fluorophenoxy)methyl]-N-(1-pyridin-4-ylpropyl)-1,2-oxazole-3-carboxamide
CID 24790441
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-(3-pyridinyl)ethyl]-3-isoxazolecarboxamide
CID 24791408
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[1-methyl-2-(2-pyridinyl)ethyl]-3-isoxazolecarboxamide
CID 24791762

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (CID 99828961) is N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is COCc1cc(C(=O)N[C@@H](C)c2ccc(Cl)cn2)no1.
What is the InChIKey of N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is STKQRQCLRDCUDY-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H14ClN3O3/c1-8(11-4-3-9(14)6-15-11)16-13(18)12-5-10(7-19-2)20-17-12/h3-6,8H,7H2,1-2H3,(H,16,18)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 295.73 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 99828961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).