5-(3-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,3-oxazole-4-carboxamide

C18H17N3O3 — CID 51492688

IUPAC5-(3-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(-c2ocnc2C(=O)N[C@@H](C)c2ccncc2)c1
InChIInChI=1S/C18H17N3O3/c1-12(13-6-8-19-9-7-13)21-18(22)16-17(24-11-20-16)14-4-3-5-15(10-14)23-2/h3-12H,1-2H3,(H,21,22)/t12-/m0/s1
InChIKeyNAMQDUBRCDGWOV-LBPRGKRZSA-N
MW323.35 g/mol
LogP3.24
Rot. Bonds5

About 5-(3-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,3-oxazole-4-carboxamide

5-(3-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,3-oxazole-4-carboxamide (PubChem CID 51492688) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,3-oxazole-4-carboxamide
PubChem CID51492688
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name5-(3-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(-c2ocnc2C(=O)N[C@@H](C)c2ccncc2)c1
InChIInChI=1S/C18H17N3O3/c1-12(13-6-8-19-9-7-13)21-18(22)16-17(24-11-20-16)14-4-3-5-15(10-14)23-2/h3-12H,1-2H3,(H,21,22)/t12-/m0/s1
InChIKeyNAMQDUBRCDGWOV-LBPRGKRZSA-N
XLogP3.24
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(3-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,3-oxazole-4-carboxamide (CID 51492688) is 5-(3-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(3-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(3-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,3-oxazole-4-carboxamide is COc1cccc(-c2ocnc2C(=O)N[C@@H](C)c2ccncc2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is NAMQDUBRCDGWOV-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12(13-6-8-19-9-7-13)21-18(22)16-17(24-11-20-16)14-4-3-5-15(10-14)23-2/h3-12H,1-2H3,(H,21,22)/t12-/m0/s1.
What are the key properties of 5-(3-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,3-oxazole-4-carboxamide?
5-(3-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 51492688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).