(5S)-3-(2-methoxyphenyl)-5-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-4H-1,2-oxazole-5-carboxamide

C18H25N3O4 — CID 97465804

IUPAC(5S)-3-(2-methoxyphenyl)-5-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-4H-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1C1=NO[C@](C)(C(=O)NCCC(=O)NC(C)C)C1
InChIInChI=1S/C18H25N3O4/c1-12(2)20-16(22)9-10-19-17(23)18(3)11-14(21-25-18)13-7-5-6-8-15(13)24-4/h5-8,12H,9-11H2,1-4H3,(H,19,23)(H,20,22)/t18-/m0/s1
InChIKeyFEWBGSDXIVXPHY-SFHVURJKSA-N
MW347.42 g/mol
LogP1.61
Rot. Bonds7

About (5S)-3-(2-methoxyphenyl)-5-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-4H-1,2-oxazole-5-carboxamide

(5S)-3-(2-methoxyphenyl)-5-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-4H-1,2-oxazole-5-carboxamide (PubChem CID 97465804) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is (5S)-3-(2-methoxyphenyl)-5-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-3-(2-methoxyphenyl)-5-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-4H-1,2-oxazole-5-carboxamide
PubChem CID97465804
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name(5S)-3-(2-methoxyphenyl)-5-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-4H-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1C1=NO[C@](C)(C(=O)NCCC(=O)NC(C)C)C1
InChIInChI=1S/C18H25N3O4/c1-12(2)20-16(22)9-10-19-17(23)18(3)11-14(21-25-18)13-7-5-6-8-15(13)24-4/h5-8,12H,9-11H2,1-4H3,(H,19,23)(H,20,22)/t18-/m0/s1
InChIKeyFEWBGSDXIVXPHY-SFHVURJKSA-N
XLogP1.61
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-3-(2-methoxyphenyl)-5-methyl-N-propyl-4H-1,2-oxazole-5-carboxamide
CID 97465817
(5R)-3-(2-methoxyphenyl)-5-methyl-N-prop-2-enyl-4H-1,2-oxazole-5-carboxamide
CID 97465838
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 91954537
N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 91946284
(5R)-N-cyclopropyl-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465820
(5S)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 7263720
3-(2-methoxyphenyl)-5-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-4H-1,2-oxazole-5-carboxamide
CID 46977682
3-(2-methoxyphenyl)-5-methyl-N-pyridin-2-yl-4H-1,2-oxazole-5-carboxamide
CID 91946159
N-(1-ethylpyrazol-3-yl)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 91946145
(5S)-N-(1-ethylpyrazol-3-yl)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465780
(5R)-3-(2-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465411
3-(2-methoxyphenyl)-5-methyl-N-(4-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide
CID 91946158

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(2-methoxyphenyl)-5-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-3-(2-methoxyphenyl)-5-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-4H-1,2-oxazole-5-carboxamide (CID 97465804) is (5S)-3-(2-methoxyphenyl)-5-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-3-(2-methoxyphenyl)-5-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-3-(2-methoxyphenyl)-5-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-4H-1,2-oxazole-5-carboxamide is COc1ccccc1C1=NO[C@](C)(C(=O)NCCC(=O)NC(C)C)C1.
What is the InChIKey of (5S)-3-(2-methoxyphenyl)-5-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-4H-1,2-oxazole-5-carboxamide?
The InChIKey is FEWBGSDXIVXPHY-SFHVURJKSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-12(2)20-16(22)9-10-19-17(23)18(3)11-14(21-25-18)13-7-5-6-8-15(13)24-4/h5-8,12H,9-11H2,1-4H3,(H,19,23)(H,20,22)/t18-/m0/s1.
What are the key properties of (5S)-3-(2-methoxyphenyl)-5-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-4H-1,2-oxazole-5-carboxamide?
(5S)-3-(2-methoxyphenyl)-5-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-4H-1,2-oxazole-5-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(2-methoxyphenyl)-5-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 97465804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).