N-[cyclohexyl-[1-[1-[(methylideneamino)methyl]cyclopropyl]triazol-4-yl]methyl]-1,2-oxazole-5-carboxamide

C18H24N6O2 — CID 123205706

IUPACN-[cyclohexyl-[1-[1-[(methylideneamino)methyl]cyclopropyl]triazol-4-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESC=NCC1(n2cc(C(NC(=O)c3ccno3)C3CCCCC3)nn2)CC1
InChIInChI=1S/C18H24N6O2/c1-19-12-18(8-9-18)24-11-14(22-23-24)16(13-5-3-2-4-6-13)21-17(25)15-7-10-20-26-15/h7,10-11,13,16H,1-6,8-9,12H2,(H,21,25)
InChIKeyFKYOALZCHRBWFA-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.51
Rot. Bonds7

About N-[cyclohexyl-[1-[1-[(methylideneamino)methyl]cyclopropyl]triazol-4-yl]methyl]-1,2-oxazole-5-carboxamide

N-[cyclohexyl-[1-[1-[(methylideneamino)methyl]cyclopropyl]triazol-4-yl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 123205706) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[cyclohexyl-[1-[1-[(methylideneamino)methyl]cyclopropyl]triazol-4-yl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[cyclohexyl-[1-[1-[(methylideneamino)methyl]cyclopropyl]triazol-4-yl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID123205706
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC NameN-[cyclohexyl-[1-[1-[(methylideneamino)methyl]cyclopropyl]triazol-4-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESC=NCC1(n2cc(C(NC(=O)c3ccno3)C3CCCCC3)nn2)CC1
InChIInChI=1S/C18H24N6O2/c1-19-12-18(8-9-18)24-11-14(22-23-24)16(13-5-3-2-4-6-13)21-17(25)15-7-10-20-26-15/h7,10-11,13,16H,1-6,8-9,12H2,(H,21,25)
InChIKeyFKYOALZCHRBWFA-UHFFFAOYSA-N
XLogP2.51
TPSA98.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,2-thiazole-5-carboxamide
CID 71452495
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]pyridine-3-carboxamide
CID 53378704
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,3-thiazole-2-carboxamide
CID 71463174
N-(1-cyclopropylethyl)-1,2-oxazole-5-carboxamide
CID 130718675
2-cyclopropyl-2-(1,2-oxazole-5-carbonylamino)acetic acid
CID 62697237
N-[(1-hydroxycycloheptyl)methyl]-1,2-oxazole-5-carboxamide
CID 65123055
N-cyclobutyl-1,2-oxazole-5-carboxamide
CID 126857173
N-[(2-hydroxycyclohexyl)methyl]-1,2-oxazole-5-carboxamide
CID 64928484
(E)-3-[(Z)-but-2-en-2-yl]sulfanyl-N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]prop-2-enamide
CID 53377977
N-[[1-(1-cyanocyclopropyl)triazol-4-yl]-(oxan-4-yl)methyl]thiophene-3-carboxamide
CID 78072176
N-[(2S)-3-cyclohexyl-1-[[(1S)-1-cyclohexyl-2-[2-[2-[2-[2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 162644186
N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 124877934

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-[1-[1-[(methylideneamino)methyl]cyclopropyl]triazol-4-yl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[cyclohexyl-[1-[1-[(methylideneamino)methyl]cyclopropyl]triazol-4-yl]methyl]-1,2-oxazole-5-carboxamide (CID 123205706) is N-[cyclohexyl-[1-[1-[(methylideneamino)methyl]cyclopropyl]triazol-4-yl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[cyclohexyl-[1-[1-[(methylideneamino)methyl]cyclopropyl]triazol-4-yl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[cyclohexyl-[1-[1-[(methylideneamino)methyl]cyclopropyl]triazol-4-yl]methyl]-1,2-oxazole-5-carboxamide is C=NCC1(n2cc(C(NC(=O)c3ccno3)C3CCCCC3)nn2)CC1.
What is the InChIKey of N-[cyclohexyl-[1-[1-[(methylideneamino)methyl]cyclopropyl]triazol-4-yl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is FKYOALZCHRBWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-19-12-18(8-9-18)24-11-14(22-23-24)16(13-5-3-2-4-6-13)21-17(25)15-7-10-20-26-15/h7,10-11,13,16H,1-6,8-9,12H2,(H,21,25).
What are the key properties of N-[cyclohexyl-[1-[1-[(methylideneamino)methyl]cyclopropyl]triazol-4-yl]methyl]-1,2-oxazole-5-carboxamide?
N-[cyclohexyl-[1-[1-[(methylideneamino)methyl]cyclopropyl]triazol-4-yl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-[1-[1-[(methylideneamino)methyl]cyclopropyl]triazol-4-yl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 123205706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).