N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C19H19N3O3 — CID 119059181

IUPACN-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCC(C(=O)NCc1cnc2c(c1)CCC2)n1c(=O)oc2ccccc21
InChIInChI=1S/C19H19N3O3/c1-12(22-16-7-2-3-8-17(16)25-19(22)24)18(23)21-11-13-9-14-5-4-6-15(14)20-10-13/h2-3,7-10,12H,4-6,11H2,1H3,(H,21,23)
InChIKeyIOEIESHEEIAGCO-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.36
Rot. Bonds4

About N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 119059181) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID119059181
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCC(C(=O)NCc1cnc2c(c1)CCC2)n1c(=O)oc2ccccc21
InChIInChI=1S/C19H19N3O3/c1-12(22-16-7-2-3-8-17(16)25-19(22)24)18(23)21-11-13-9-14-5-4-6-15(14)20-10-13/h2-3,7-10,12H,4-6,11H2,1H3,(H,21,23)
InChIKeyIOEIESHEEIAGCO-UHFFFAOYSA-N
XLogP2.36
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide with MolForge

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Related Compounds

N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24613317
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 119059514
N-ethyl-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 60601414
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 134036586
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 55746512
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 119063791
N-[(5-ethyl-2-pyridinyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide;2,2,2-trifluoroacetic acid
CID 154885804
N-[3-[[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenyl]cyclopentanecarboxamide
CID 55947366
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
CID 18143050
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24611150
(2S)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 124754787
(2S)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 95165771

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 119059181) is N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is CC(C(=O)NCc1cnc2c(c1)CCC2)n1c(=O)oc2ccccc21.
What is the InChIKey of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is IOEIESHEEIAGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12(22-16-7-2-3-8-17(16)25-19(22)24)18(23)21-11-13-9-14-5-4-6-15(14)20-10-13/h2-3,7-10,12H,4-6,11H2,1H3,(H,21,23).
What are the key properties of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 337.38 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 119059181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).