2-amino-3-(7-cyano-1,3-benzoxazol-2-yl)-N-(1-cyanocyclopropyl)propanamide

C15H13N5O2 — CID 175454978

IUPAC2-amino-3-(7-cyano-1,3-benzoxazol-2-yl)-N-(1-cyanocyclopropyl)propanamide
SMILESN#Cc1cccc2nc(CC(N)C(=O)NC3(C#N)CC3)oc12
InChIInChI=1S/C15H13N5O2/c16-7-9-2-1-3-11-13(9)22-12(19-11)6-10(18)14(21)20-15(8-17)4-5-15/h1-3,10H,4-6,18H2,(H,20,21)
InChIKeyIKNFUDXOEDAUJO-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.74
Rot. Bonds4

About 2-amino-3-(7-cyano-1,3-benzoxazol-2-yl)-N-(1-cyanocyclopropyl)propanamide

2-amino-3-(7-cyano-1,3-benzoxazol-2-yl)-N-(1-cyanocyclopropyl)propanamide (PubChem CID 175454978) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-amino-3-(7-cyano-1,3-benzoxazol-2-yl)-N-(1-cyanocyclopropyl)propanamide.

Molecular Properties

Compound Name2-amino-3-(7-cyano-1,3-benzoxazol-2-yl)-N-(1-cyanocyclopropyl)propanamide
PubChem CID175454978
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name2-amino-3-(7-cyano-1,3-benzoxazol-2-yl)-N-(1-cyanocyclopropyl)propanamide
SMILESN#Cc1cccc2nc(CC(N)C(=O)NC3(C#N)CC3)oc12
InChIInChI=1S/C15H13N5O2/c16-7-9-2-1-3-11-13(9)22-12(19-11)6-10(18)14(21)20-15(8-17)4-5-15/h1-3,10H,4-6,18H2,(H,20,21)
InChIKeyIKNFUDXOEDAUJO-UHFFFAOYSA-N
XLogP0.74
TPSA128.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-3-(4-chloro-1,3-benzoxazol-2-yl)-N-(1-cyanocyclopropyl)propanamide
CID 174200395
2-amino-N-(1-cyanocyclopropyl)-3-(5,6-difluoro-1,3-benzoxazol-2-yl)propanamide
CID 174199882
2-amino-3-(7-cyano-1,3-benzoxazol-2-yl)-N-(1-cyanocyclopropyl)prop-2-enamide
CID 174159519
2-(iodomethyl)-1,3-benzoxazole-7-carbonitrile
CID 68572121
2-amino-1,3-benzoxazole-7-carbonitrile
CID 75488532
3-chloro-N-[(2S)-1-[(1-cyanocyclopropyl)amino]-1-oxo-3-[4-(1H-pyrazol-4-yl)-1,3-benzoxazol-2-yl]propan-2-yl]benzamide
CID 170452486
N-(1-cyanocyclopropyl)-3-(3,4-dichlorophenyl)-2-formamidopropanamide
CID 119040523
methyl 3-[3-[[(2R)-1-[(1-cyanocyclopropyl)amino]-1-oxo-3-trimethylsilylpropan-2-yl]carbamoyl]phenyl]benzoate
CID 90765019
(2S)-2-[(8-bromodibenzofuran-2-yl)sulfinylamino]-N-(1-cyanocyclopropyl)-4-methylpentanamide
CID 166677107
7-bromo-N-[1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]dibenzofuran-2-carboxamide
CID 166677303
2-amino-N-[(1R,2R)-1-cyano-2-phenylcyclopropyl]-3-(3-fluorothiophen-2-yl)propanamide
CID 44584936
2-[(7-bromodibenzofuran-2-yl)sulfinylamino]-N-(1-cyanocyclopropyl)-4-methylpentanamide
CID 166677250

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(7-cyano-1,3-benzoxazol-2-yl)-N-(1-cyanocyclopropyl)propanamide?
The IUPAC name of 2-amino-3-(7-cyano-1,3-benzoxazol-2-yl)-N-(1-cyanocyclopropyl)propanamide (CID 175454978) is 2-amino-3-(7-cyano-1,3-benzoxazol-2-yl)-N-(1-cyanocyclopropyl)propanamide.
What is the SMILES notation for 2-amino-3-(7-cyano-1,3-benzoxazol-2-yl)-N-(1-cyanocyclopropyl)propanamide?
The canonical SMILES for 2-amino-3-(7-cyano-1,3-benzoxazol-2-yl)-N-(1-cyanocyclopropyl)propanamide is N#Cc1cccc2nc(CC(N)C(=O)NC3(C#N)CC3)oc12.
What is the InChIKey of 2-amino-3-(7-cyano-1,3-benzoxazol-2-yl)-N-(1-cyanocyclopropyl)propanamide?
The InChIKey is IKNFUDXOEDAUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c16-7-9-2-1-3-11-13(9)22-12(19-11)6-10(18)14(21)20-15(8-17)4-5-15/h1-3,10H,4-6,18H2,(H,20,21).
What are the key properties of 2-amino-3-(7-cyano-1,3-benzoxazol-2-yl)-N-(1-cyanocyclopropyl)propanamide?
2-amino-3-(7-cyano-1,3-benzoxazol-2-yl)-N-(1-cyanocyclopropyl)propanamide has a molecular weight of 295.30 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(7-cyano-1,3-benzoxazol-2-yl)-N-(1-cyanocyclopropyl)propanamide is sourced from PubChem (CID 175454978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).