N-[(E)-butan-2-ylideneamino]-5-(1H-indol-3-yl)-1,2-oxazole-3-carboxamide

C16H16N4O2 — CID 135646944

IUPACN-[(E)-butan-2-ylideneamino]-5-(1H-indol-3-yl)-1,2-oxazole-3-carboxamide
SMILESCC/C(C)=N/NC(=O)c1cc(-c2c[nH]c3ccccc23)on1
InChIInChI=1S/C16H16N4O2/c1-3-10(2)18-19-16(21)14-8-15(22-20-14)12-9-17-13-7-5-4-6-11(12)13/h4-9,17H,3H2,1-2H3,(H,19,21)/b18-10+
InChIKeyYCZFLAHZNSWBLY-VCHYOVAHSA-N
MW296.33 g/mol
LogP3.34
Rot. Bonds4

About N-[(E)-butan-2-ylideneamino]-5-(1H-indol-3-yl)-1,2-oxazole-3-carboxamide

N-[(E)-butan-2-ylideneamino]-5-(1H-indol-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 135646944) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[(E)-butan-2-ylideneamino]-5-(1H-indol-3-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-butan-2-ylideneamino]-5-(1H-indol-3-yl)-1,2-oxazole-3-carboxamide
PubChem CID135646944
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-[(E)-butan-2-ylideneamino]-5-(1H-indol-3-yl)-1,2-oxazole-3-carboxamide
SMILESCC/C(C)=N/NC(=O)c1cc(-c2c[nH]c3ccccc23)on1
InChIInChI=1S/C16H16N4O2/c1-3-10(2)18-19-16(21)14-8-15(22-20-14)12-9-17-13-7-5-4-6-11(12)13/h4-9,17H,3H2,1-2H3,(H,19,21)/b18-10+
InChIKeyYCZFLAHZNSWBLY-VCHYOVAHSA-N
XLogP3.34
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(heptan-4-ylideneamino)-1H-indole-3-carboxamide
CID 5146585
5-phenyl-N-(1-phenylethylideneamino)-1,2-oxazole-3-carboxamide
CID 138454533
N-(propan-2-ylideneamino)-1H-indole-3-carboxamide
CID 3706712
1-[2-(1H-indol-3-yl)phenyl]propan-1-one
CID 174611519
1-[2-(1H-indol-3-yl)-5-methylphenyl]propan-1-one
CID 174735323
N-[1-(1H-indol-3-yl)ethylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 136914383
hexane-2,4-dione;1-[4-(1H-indol-3-yl)-2-methyl-1H-pyrrol-3-yl]ethanone
CID 154689061
N-[(Z)-butan-2-ylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 7933434
N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51154964
N-[1-(4-chlorophenyl)propylideneamino]-1H-indole-3-carboxamide
CID 5011470
N-[1-(4-ethylphenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 3447704
3-(2,5-dichlorothiophen-3-yl)-5-(1H-indol-3-yl)-1,2-oxazole
CID 137178226

Frequently Asked Questions

What is the IUPAC name of N-[(E)-butan-2-ylideneamino]-5-(1H-indol-3-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(E)-butan-2-ylideneamino]-5-(1H-indol-3-yl)-1,2-oxazole-3-carboxamide (CID 135646944) is N-[(E)-butan-2-ylideneamino]-5-(1H-indol-3-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(E)-butan-2-ylideneamino]-5-(1H-indol-3-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(E)-butan-2-ylideneamino]-5-(1H-indol-3-yl)-1,2-oxazole-3-carboxamide is CC/C(C)=N/NC(=O)c1cc(-c2c[nH]c3ccccc23)on1.
What is the InChIKey of N-[(E)-butan-2-ylideneamino]-5-(1H-indol-3-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is YCZFLAHZNSWBLY-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-3-10(2)18-19-16(21)14-8-15(22-20-14)12-9-17-13-7-5-4-6-11(12)13/h4-9,17H,3H2,1-2H3,(H,19,21)/b18-10+.
What are the key properties of N-[(E)-butan-2-ylideneamino]-5-(1H-indol-3-yl)-1,2-oxazole-3-carboxamide?
N-[(E)-butan-2-ylideneamino]-5-(1H-indol-3-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-butan-2-ylideneamino]-5-(1H-indol-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 135646944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).