N-[6-(2-aminoanilino)-6-oxohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

C19H24N4O3 — CID 45137892

IUPACN-[6-(2-aminoanilino)-6-oxohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESNc1ccccc1NC(=O)CCCCCNC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C19H24N4O3/c20-14-6-3-4-7-15(14)22-18(24)8-2-1-5-11-21-19(25)16-12-17(26-23-16)13-9-10-13/h3-4,6-7,12-13H,1-2,5,8-11,20H2,(H,21,25)(H,22,24)
InChIKeyGCPCNFYBAOAGCY-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.06
Rot. Bonds9

About N-[6-(2-aminoanilino)-6-oxohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-[6-(2-aminoanilino)-6-oxohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 45137892) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[6-(2-aminoanilino)-6-oxohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(2-aminoanilino)-6-oxohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID45137892
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[6-(2-aminoanilino)-6-oxohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESNc1ccccc1NC(=O)CCCCCNC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C19H24N4O3/c20-14-6-3-4-7-15(14)22-18(24)8-2-1-5-11-21-19(25)16-12-17(26-23-16)13-9-10-13/h3-4,6-7,12-13H,1-2,5,8-11,20H2,(H,21,25)(H,22,24)
InChIKeyGCPCNFYBAOAGCY-UHFFFAOYSA-N
XLogP3.06
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(2-aminoanilino)-5-oxopentyl]benzamide
CID 155547009
N-[6-(2-aminoanilino)-6-oxohexyl]-1H-pyrrole-2-carboxamide
CID 45137576
N-[4-(2-aminoanilino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 119422393
N-[6-(2-aminoanilino)-6-oxohexyl]-4-ethynylbenzamide
CID 137464662
N-(2-aminophenyl)octadecanamide
CID 68839220
[1-[4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butylamino]-3-oxopropan-2-yl]carbamic acid
CID 118948983
N-[6-(2-aminoanilino)-6-oxohexyl]-3-[4-(methylamino)phenyl]-1H-pyrazole-5-carboxamide
CID 162514443
N-(2-amino-2-phenylethyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119529507
5-cyclopropyl-N-(2-propoxyphenyl)-1,2-oxazole-3-carboxamide
CID 34345755
N-[6-(2-aminoanilino)-6-oxohexyl]-1-methylindole-6-carboxamide
CID 67218587
N-(2-aminophenyl)-7-oxoheptanamide
CID 143955349
N-(2-aminophenyl)-6-[(2-xanthen-9-ylideneacetyl)amino]hexanamide
CID 53354005

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-aminoanilino)-6-oxohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[6-(2-aminoanilino)-6-oxohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 45137892) is N-[6-(2-aminoanilino)-6-oxohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[6-(2-aminoanilino)-6-oxohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[6-(2-aminoanilino)-6-oxohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is Nc1ccccc1NC(=O)CCCCCNC(=O)c1cc(C2CC2)on1.
What is the InChIKey of N-[6-(2-aminoanilino)-6-oxohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is GCPCNFYBAOAGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c20-14-6-3-4-7-15(14)22-18(24)8-2-1-5-11-21-19(25)16-12-17(26-23-16)13-9-10-13/h3-4,6-7,12-13H,1-2,5,8-11,20H2,(H,21,25)(H,22,24).
What are the key properties of N-[6-(2-aminoanilino)-6-oxohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-[6-(2-aminoanilino)-6-oxohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 3.06, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-aminoanilino)-6-oxohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 45137892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).