2-tert-butyl-5-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile

C18H19N5O — CID 135888279

IUPAC2-tert-butyl-5-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
SMILESCc1[nH]c2ccccc2c1/C=N\Nc1oc(C(C)(C)C)nc1C#N
InChIInChI=1S/C18H19N5O/c1-11-13(12-7-5-6-8-14(12)21-11)10-20-23-16-15(9-19)22-17(24-16)18(2,3)4/h5-8,10,21,23H,1-4H3/b20-10-
InChIKeyNHHORCXQHRKWHV-JMIUGGIZSA-N
MW321.38 g/mol
LogP4.08
Rot. Bonds3

About 2-tert-butyl-5-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile

2-tert-butyl-5-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile (PubChem CID 135888279) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-tert-butyl-5-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-tert-butyl-5-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
PubChem CID135888279
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2-tert-butyl-5-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
SMILESCc1[nH]c2ccccc2c1/C=N\Nc1oc(C(C)(C)C)nc1C#N
InChIInChI=1S/C18H19N5O/c1-11-13(12-7-5-6-8-14(12)21-11)10-20-23-16-15(9-19)22-17(24-16)18(2,3)4/h5-8,10,21,23H,1-4H3/b20-10-
InChIKeyNHHORCXQHRKWHV-JMIUGGIZSA-N
XLogP4.08
TPSA90.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-tert-butyl-5-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
CID 170983634
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]methanamine
CID 136786730
4,5-dimethyl-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-amine
CID 136822328
2-tert-butyl-5-[2-[[4-(propan-2-yloxymethyl)phenyl]methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
CID 170983638
2-chloro-N-[(2-methyl-1H-indol-3-yl)methylideneamino]aniline
CID 3656134
3,5,6-trichloro-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridin-2-amine
CID 135716458
methyl 4-methyl-2-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate
CID 136822183
2-tert-butyl-5-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1,3-oxazole-4-carbonitrile
CID 71882484
N,4-bis[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,2,4-triazol-3-amine
CID 137045142
4-(3,4-dimethylphenyl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-amine
CID 136781941
3-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,2,4-triazole-3,4-diamine;dihydrochloride
CID 137153076
5-tert-butyl-2-methyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide
CID 136789485

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-tert-butyl-5-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile (CID 135888279) is 2-tert-butyl-5-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-tert-butyl-5-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-tert-butyl-5-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile is Cc1[nH]c2ccccc2c1/C=N\Nc1oc(C(C)(C)C)nc1C#N.
What is the InChIKey of 2-tert-butyl-5-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile?
The InChIKey is NHHORCXQHRKWHV-JMIUGGIZSA-N. The full InChI is InChI=1S/C18H19N5O/c1-11-13(12-7-5-6-8-14(12)21-11)10-20-23-16-15(9-19)22-17(24-16)18(2,3)4/h5-8,10,21,23H,1-4H3/b20-10-.
What are the key properties of 2-tert-butyl-5-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile?
2-tert-butyl-5-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile has a molecular weight of 321.38 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 135888279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).