N-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]-1H-indole-6-carboxamide

C27H29N3O3 — CID 73058110

IUPACN-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]-1H-indole-6-carboxamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)c1ccc2cc[nH]c2c1)c1ncc(-c2ccccc2)o1
InChIInChI=1S/C27H29N3O3/c1-2-22(31)11-7-4-8-12-23(27-29-18-25(33-27)20-9-5-3-6-10-20)30-26(32)21-14-13-19-15-16-28-24(19)17-21/h3,5-6,9-10,13-18,23,28H,2,4,7-8,11-12H2,1H3,(H,30,32)/t23-/m0/s1
InChIKeyJBOODDMQPGNWJY-QHCPKHFHSA-N
MW443.55 g/mol
LogP6.22
Rot. Bonds11

About N-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]-1H-indole-6-carboxamide

N-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]-1H-indole-6-carboxamide (PubChem CID 73058110) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]-1H-indole-6-carboxamide
PubChem CID73058110
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC NameN-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]-1H-indole-6-carboxamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)c1ccc2cc[nH]c2c1)c1ncc(-c2ccccc2)o1
InChIInChI=1S/C27H29N3O3/c1-2-22(31)11-7-4-8-12-23(27-29-18-25(33-27)20-9-5-3-6-10-20)30-26(32)21-14-13-19-15-16-28-24(19)17-21/h3,5-6,9-10,13-18,23,28H,2,4,7-8,11-12H2,1H3,(H,30,32)/t23-/m0/s1
InChIKeyJBOODDMQPGNWJY-QHCPKHFHSA-N
XLogP6.22
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]-1H-indole-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-N-[7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]pyridine-4-carboxamide
CID 118275081
2-methyl-N-[7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]oxolane-2-carboxamide
CID 123615842
dimethyl-[2-methyl-1-[[(1S)-1-(5-naphthalen-2-yl-1,3-oxazol-2-yl)-7-oxononyl]amino]-1-oxopropan-2-yl]azanium;2,2,2-trifluoroacetate
CID 87331646
1-methyl-N-[(1S)-1-[5-[4-(2-methylpyrazol-3-yl)phenyl]-1,3-oxazol-2-yl]-7-oxononyl]azetidine-3-carboxamide
CID 90071003
1-methyl-N-[(1S)-7-oxo-1-[5-(2-oxo-1H-quinolin-3-yl)-1,3-oxazol-2-yl]nonyl]azetidine-3-carboxamide
CID 73054597
2-(dimethylamino)-2-methyl-N-[(1S)-1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]propanamide
CID 73057534
N-[1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-1,3-thiazole-5-carboxamide
CID 118275139
1-methyl-N-[1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]piperidine-4-carboxamide
CID 118275137
(2R)-3-hydroxy-2-(1H-indole-6-carbonylamino)propanoic acid
CID 80750330
(2S)-3-hydroxy-2-(1H-indole-6-carbonylamino)propanoic acid
CID 55230988
N-butan-2-yl-1H-indole-6-carboxamide
CID 47190406
[(2S)-1-[2-(naphthalene-2-carbonyl)hydrazinyl]-1,8-dioxodecan-2-yl]carbamic acid
CID 67268811

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]-1H-indole-6-carboxamide?
The IUPAC name of N-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]-1H-indole-6-carboxamide (CID 73058110) is N-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]-1H-indole-6-carboxamide is CCC(=O)CCCCC[C@H](NC(=O)c1ccc2cc[nH]c2c1)c1ncc(-c2ccccc2)o1.
What is the InChIKey of N-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]-1H-indole-6-carboxamide?
The InChIKey is JBOODDMQPGNWJY-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-2-22(31)11-7-4-8-12-23(27-29-18-25(33-27)20-9-5-3-6-10-20)30-26(32)21-14-13-19-15-16-28-24(19)17-21/h3,5-6,9-10,13-18,23,28H,2,4,7-8,11-12H2,1H3,(H,30,32)/t23-/m0/s1.
What are the key properties of N-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]-1H-indole-6-carboxamide?
N-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]-1H-indole-6-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 6.22, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-7-oxo-1-(5-phenyl-1,3-oxazol-2-yl)nonyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 73058110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).