N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C19H23N3O2 — CID 119342235

IUPACN-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc2nc(C3CC3)oc2c1)C1CC2CCCCC2N1
InChIInChI=1S/C19H23N3O2/c23-18(16-9-12-3-1-2-4-14(12)21-16)20-13-7-8-15-17(10-13)24-19(22-15)11-5-6-11/h7-8,10-12,14,16,21H,1-6,9H2,(H,20,23)
InChIKeyUANRYSSWSPKFOO-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.56
Rot. Bonds3

About N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 119342235) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID119342235
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc2nc(C3CC3)oc2c1)C1CC2CCCCC2N1
InChIInChI=1S/C19H23N3O2/c23-18(16-9-12-3-1-2-4-14(12)21-16)20-13-7-8-15-17(10-13)24-19(22-15)11-5-6-11/h7-8,10-12,14,16,21H,1-6,9H2,(H,20,23)
InChIKeyUANRYSSWSPKFOO-UHFFFAOYSA-N
XLogP3.56
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-(3,4-dichlorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43103078
N-(2-ethyl-1,3-benzoxazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119290749
N-(1,3-benzothiazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 103795576
3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)benzoic acid
CID 61157479
N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119323619
N-(3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 24699251
N-[4-(phenylcarbamoylamino)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119277181
N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119326437
3-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)propanamide
CID 83627412
N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-(methylamino)acetamide
CID 83627413
N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119321959
3-[(2-cyclopropyl-1,3-benzoxazol-6-yl)amino]-2-methyl-3-oxopropanoic acid
CID 122099672

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 119342235) is N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is O=C(Nc1ccc2nc(C3CC3)oc2c1)C1CC2CCCCC2N1.
What is the InChIKey of N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is UANRYSSWSPKFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-18(16-9-12-3-1-2-4-14(12)21-16)20-13-7-8-15-17(10-13)24-19(22-15)11-5-6-11/h7-8,10-12,14,16,21H,1-6,9H2,(H,20,23).
What are the key properties of N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 119342235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).