cis-(1S,2R)-2-methyl-N-[3-[3-(1,3-oxazol-5-yl)anilino]-3-oxopropyl]cyclopropane-1-carboxamide

C17H19N3O3 — CID 94796874

IUPACcis-(1S,2R)-2-methyl-N-[3-[3-(1,3-oxazol-5-yl)anilino]-3-oxopropyl]cyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)NCCC(=O)Nc1cccc(-c2cnco2)c1
InChIInChI=1S/C17H19N3O3/c1-11-7-14(11)17(22)19-6-5-16(21)20-13-4-2-3-12(8-13)15-9-18-10-23-15/h2-4,8-11,14H,5-7H2,1H3,(H,19,22)(H,20,21)/t11-,14+/m1/s1
InChIKeyWCFLQIJENTWFEK-RISCZKNCSA-N
MW313.36 g/mol
LogP2.44
Rot. Bonds6

About cis-(1S,2R)-2-methyl-N-[3-[3-(1,3-oxazol-5-yl)anilino]-3-oxopropyl]cyclopropane-1-carboxamide

cis-(1S,2R)-2-methyl-N-[3-[3-(1,3-oxazol-5-yl)anilino]-3-oxopropyl]cyclopropane-1-carboxamide (PubChem CID 94796874) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is cis-(1S,2R)-2-methyl-N-[3-[3-(1,3-oxazol-5-yl)anilino]-3-oxopropyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-methyl-N-[3-[3-(1,3-oxazol-5-yl)anilino]-3-oxopropyl]cyclopropane-1-carboxamide
PubChem CID94796874
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Namecis-(1S,2R)-2-methyl-N-[3-[3-(1,3-oxazol-5-yl)anilino]-3-oxopropyl]cyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)NCCC(=O)Nc1cccc(-c2cnco2)c1
InChIInChI=1S/C17H19N3O3/c1-11-7-14(11)17(22)19-6-5-16(21)20-13-4-2-3-12(8-13)15-9-18-10-23-15/h2-4,8-11,14H,5-7H2,1H3,(H,19,22)(H,20,21)/t11-,14+/m1/s1
InChIKeyWCFLQIJENTWFEK-RISCZKNCSA-N
XLogP2.44
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1S,2R)-2-methyl-N-[3-[3-(1,3-oxazol-5-yl)anilino]-3-oxopropyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

trans-(1R,2R)-N-[3-(3-acetylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
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cis-(1R,2S)-N-[3-[3-(4-ethyl-1,2,4-triazol-3-yl)anilino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
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2-methyl-N-[3-[3-[2-(methylamino)-2-oxoethoxy]anilino]-3-oxopropyl]cyclopropane-1-carboxamide
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5-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]pyridine-3-carboxylic acid
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2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
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3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-methyl-N-[3-[3-(1,3-oxazol-5-yl)anilino]-3-oxopropyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-methyl-N-[3-[3-(1,3-oxazol-5-yl)anilino]-3-oxopropyl]cyclopropane-1-carboxamide (CID 94796874) is cis-(1S,2R)-2-methyl-N-[3-[3-(1,3-oxazol-5-yl)anilino]-3-oxopropyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-methyl-N-[3-[3-(1,3-oxazol-5-yl)anilino]-3-oxopropyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-methyl-N-[3-[3-(1,3-oxazol-5-yl)anilino]-3-oxopropyl]cyclopropane-1-carboxamide is C[C@@H]1C[C@@H]1C(=O)NCCC(=O)Nc1cccc(-c2cnco2)c1.
What is the InChIKey of cis-(1S,2R)-2-methyl-N-[3-[3-(1,3-oxazol-5-yl)anilino]-3-oxopropyl]cyclopropane-1-carboxamide?
The InChIKey is WCFLQIJENTWFEK-RISCZKNCSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11-7-14(11)17(22)19-6-5-16(21)20-13-4-2-3-12(8-13)15-9-18-10-23-15/h2-4,8-11,14H,5-7H2,1H3,(H,19,22)(H,20,21)/t11-,14+/m1/s1.
What are the key properties of cis-(1S,2R)-2-methyl-N-[3-[3-(1,3-oxazol-5-yl)anilino]-3-oxopropyl]cyclopropane-1-carboxamide?
cis-(1S,2R)-2-methyl-N-[3-[3-(1,3-oxazol-5-yl)anilino]-3-oxopropyl]cyclopropane-1-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-methyl-N-[3-[3-(1,3-oxazol-5-yl)anilino]-3-oxopropyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 94796874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).