5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide

C14H14N4O2 — CID 65486031

IUPAC5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide
SMILESCc1noc(NC(=O)c2cc3cc(N)ccc3[nH]2)c1C
InChIInChI=1S/C14H14N4O2/c1-7-8(2)18-20-14(7)17-13(19)12-6-9-5-10(15)3-4-11(9)16-12/h3-6,16H,15H2,1-2H3,(H,17,19)
InChIKeyBINNFRMSJUSZHF-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.61
Rot. Bonds2

About 5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide

5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide (PubChem CID 65486031) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide
PubChem CID65486031
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide
SMILESCc1noc(NC(=O)c2cc3cc(N)ccc3[nH]2)c1C
InChIInChI=1S/C14H14N4O2/c1-7-8(2)18-20-14(7)17-13(19)12-6-9-5-10(15)3-4-11(9)16-12/h3-6,16H,15H2,1-2H3,(H,17,19)
InChIKeyBINNFRMSJUSZHF-UHFFFAOYSA-N
XLogP2.61
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide
CID 63117740
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrrole-2-carboxamide
CID 65487175
5-amino-N-(2-methyl-3-pyridinyl)-1H-indole-2-carboxamide
CID 79041889
5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746
5-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide
CID 115597844
5-amino-N-(3-bromo-5-methylphenyl)-1H-indole-2-carboxamide
CID 107581689
5-amino-N-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 62058585
5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-indole-2-carboxamide
CID 79735742
5-amino-N-(4-iodophenyl)-1H-indole-2-carboxamide
CID 62057441
5-amino-N-(2,6-difluorophenyl)-1H-indole-2-carboxamide
CID 63117859
1-(5-amino-1H-indol-2-yl)ethanone
CID 59837588
2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylbenzamide
CID 65486415

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide (CID 65486031) is 5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide is Cc1noc(NC(=O)c2cc3cc(N)ccc3[nH]2)c1C.
What is the InChIKey of 5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide?
The InChIKey is BINNFRMSJUSZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-7-8(2)18-20-14(7)17-13(19)12-6-9-5-10(15)3-4-11(9)16-12/h3-6,16H,15H2,1-2H3,(H,17,19).
What are the key properties of 5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide?
5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 2.61, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 65486031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).