N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C19H23N3O2 — CID 119279214

IUPACN-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCc1ncc(-c2ccc(NC(=O)C3CC4CCCCC4N3)cc2)o1
InChIInChI=1S/C19H23N3O2/c1-12-20-11-18(24-12)13-6-8-15(9-7-13)21-19(23)17-10-14-4-2-3-5-16(14)22-17/h6-9,11,14,16-17,22H,2-5,10H2,1H3,(H,21,23)
InChIKeyGHMOSNRLWJHSGO-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.51
Rot. Bonds3

About N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 119279214) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID119279214
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCc1ncc(-c2ccc(NC(=O)C3CC4CCCCC4N3)cc2)o1
InChIInChI=1S/C19H23N3O2/c1-12-20-11-18(24-12)13-6-8-15(9-7-13)21-19(23)17-10-14-4-2-3-5-16(14)22-17/h6-9,11,14,16-17,22H,2-5,10H2,1H3,(H,21,23)
InChIKeyGHMOSNRLWJHSGO-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide with MolForge

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Related Compounds

9-amino-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985154
2-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974723
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119279210
methyl 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)benzoate
CID 119262165
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide
CID 119704502
N-[4-(phenylcarbamoylamino)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119277181
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119704465
N-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119292200
N-(6-chloro-5-methyl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 103796996
N-(3,4-dichlorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43103078
N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119321959
N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119322894

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 119279214) is N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is Cc1ncc(-c2ccc(NC(=O)C3CC4CCCCC4N3)cc2)o1.
What is the InChIKey of N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is GHMOSNRLWJHSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-12-20-11-18(24-12)13-6-8-15(9-7-13)21-19(23)17-10-14-4-2-3-5-16(14)22-17/h6-9,11,14,16-17,22H,2-5,10H2,1H3,(H,21,23).
What are the key properties of N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 119279214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).