5-(3-methoxyphenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]-1,2-oxazole-3-carboxamide

C20H20N4O4 — CID 93140787

IUPAC5-(3-methoxyphenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N[C@H](C)C(=O)NCc3ccccn3)no2)c1
InChIInChI=1S/C20H20N4O4/c1-13(19(25)22-12-15-7-3-4-9-21-15)23-20(26)17-11-18(28-24-17)14-6-5-8-16(10-14)27-2/h3-11,13H,12H2,1-2H3,(H,22,25)(H,23,26)/t13-/m1/s1
InChIKeyCFMNPIXHQKMFPM-CYBMUJFWSA-N
MW380.40 g/mol
LogP2.18
Rot. Bonds7

About 5-(3-methoxyphenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]-1,2-oxazole-3-carboxamide

5-(3-methoxyphenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 93140787) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID93140787
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name5-(3-methoxyphenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N[C@H](C)C(=O)NCc3ccccn3)no2)c1
InChIInChI=1S/C20H20N4O4/c1-13(19(25)22-12-15-7-3-4-9-21-15)23-20(26)17-11-18(28-24-17)14-6-5-8-16(10-14)27-2/h3-11,13H,12H2,1-2H3,(H,22,25)(H,23,26)/t13-/m1/s1
InChIKeyCFMNPIXHQKMFPM-CYBMUJFWSA-N
XLogP2.18
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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4-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide
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N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide
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N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-methoxyphenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]-1,2-oxazole-3-carboxamide (CID 93140787) is 5-(3-methoxyphenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-methoxyphenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-methoxyphenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]-1,2-oxazole-3-carboxamide is COc1cccc(-c2cc(C(=O)N[C@H](C)C(=O)NCc3ccccn3)no2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is CFMNPIXHQKMFPM-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-13(19(25)22-12-15-7-3-4-9-21-15)23-20(26)17-11-18(28-24-17)14-6-5-8-16(10-14)27-2/h3-11,13H,12H2,1-2H3,(H,22,25)(H,23,26)/t13-/m1/s1.
What are the key properties of 5-(3-methoxyphenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]-1,2-oxazole-3-carboxamide?
5-(3-methoxyphenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 93140787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).