N-[9-benzhydryl-5-cyano-7-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-2-yl]formamide

C32H24N4O2 — CID 174930130

IUPACN-[9-benzhydryl-5-cyano-7-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-2-yl]formamide
SMILESCc1noc(C)c1-c1cc(C#N)c2c3ccc(NC=O)cc3n(C(c3ccccc3)c3ccccc3)c2c1
InChIInChI=1S/C32H24N4O2/c1-20-30(21(2)38-35-20)24-15-25(18-33)31-27-14-13-26(34-19-37)17-28(27)36(29(31)16-24)32(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-17,19,32H,1-2H3,(H,34,37)
InChIKeyRGNIGMHXARUYIX-UHFFFAOYSA-N
MW496.57 g/mol
LogP7.14
Rot. Bonds6

About N-[9-benzhydryl-5-cyano-7-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-2-yl]formamide

N-[9-benzhydryl-5-cyano-7-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-2-yl]formamide (PubChem CID 174930130) has the molecular formula C32H24N4O2 and a molecular weight of 496.57 g/mol. Its IUPAC name is N-[9-benzhydryl-5-cyano-7-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-2-yl]formamide.

Molecular Properties

Compound NameN-[9-benzhydryl-5-cyano-7-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-2-yl]formamide
PubChem CID174930130
Molecular FormulaC32H24N4O2
Molecular Weight496.57 g/mol
Exact Mass496.19
IUPAC NameN-[9-benzhydryl-5-cyano-7-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-2-yl]formamide
SMILESCc1noc(C)c1-c1cc(C#N)c2c3ccc(NC=O)cc3n(C(c3ccccc3)c3ccccc3)c2c1
InChIInChI=1S/C32H24N4O2/c1-20-30(21(2)38-35-20)24-15-25(18-33)31-27-14-13-26(34-19-37)17-28(27)36(29(31)16-24)32(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-17,19,32H,1-2H3,(H,34,37)
InChIKeyRGNIGMHXARUYIX-UHFFFAOYSA-N
XLogP7.14
TPSA83.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.57
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]formamide
CID 173261261
6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridine-3-carbonitrile
CID 118059784
methyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9-(1-phenylethyl)carbazole-4-carboxylate
CID 90375858
6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one
CID 121375770
2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[oxan-4-yl(phenyl)methyl]carbazole-4-carboxamide
CID 90375934
3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(S)-oxan-4-yl(phenyl)methyl]pyrido[3,2-b]indol-7-yl]-3-oxopropanenitrile
CID 118196475
2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9-[(3Z)-2-methylidenehexa-3,5-dienyl]carbazole-4-carbonitrile
CID 145261859
3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylbenzimidazol-2-one
CID 121375958
methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(S)-oxan-4-yl(phenyl)methyl]pyrido[3,2-b]indole-7-carboxylate
CID 121412184
4-[3-(2-methoxypyrimidin-5-yl)-1-[phenyl(pyridin-2-yl)methyl]indol-6-yl]-3,5-dimethyl-1,2-oxazole
CID 118059434
2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-9-fluoro-5-[oxan-4-yl(phenyl)methyl]pyrido[4,3-b]indol-3-yl]propan-2-ol
CID 130320028
3,5-dimethyl-4-[3-methyl-1-[phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-1,2-oxazole
CID 123241057

Frequently Asked Questions

What is the IUPAC name of N-[9-benzhydryl-5-cyano-7-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-2-yl]formamide?
The IUPAC name of N-[9-benzhydryl-5-cyano-7-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-2-yl]formamide (CID 174930130) is N-[9-benzhydryl-5-cyano-7-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-2-yl]formamide.
What is the SMILES notation for N-[9-benzhydryl-5-cyano-7-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-2-yl]formamide?
The canonical SMILES for N-[9-benzhydryl-5-cyano-7-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-2-yl]formamide is Cc1noc(C)c1-c1cc(C#N)c2c3ccc(NC=O)cc3n(C(c3ccccc3)c3ccccc3)c2c1.
What is the InChIKey of N-[9-benzhydryl-5-cyano-7-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-2-yl]formamide?
The InChIKey is RGNIGMHXARUYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N4O2/c1-20-30(21(2)38-35-20)24-15-25(18-33)31-27-14-13-26(34-19-37)17-28(27)36(29(31)16-24)32(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-17,19,32H,1-2H3,(H,34,37).
What are the key properties of N-[9-benzhydryl-5-cyano-7-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-2-yl]formamide?
N-[9-benzhydryl-5-cyano-7-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-2-yl]formamide has a molecular weight of 496.57 g/mol, XLogP of 7.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-benzhydryl-5-cyano-7-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-2-yl]formamide is sourced from PubChem (CID 174930130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).