cyclohexyl 5-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazole-4-carboxylate

C15H21N5O3 — CID 94946067

IUPACcyclohexyl 5-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazole-4-carboxylate
SMILESCc1noc(C)c1Cn1nnc(C(=O)OC2CCCCC2)c1N
InChIInChI=1S/C15H21N5O3/c1-9-12(10(2)23-18-9)8-20-14(16)13(17-19-20)15(21)22-11-6-4-3-5-7-11/h11H,3-8,16H2,1-2H3
InChIKeyGYQDEZWNCSGMHB-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.00
Rot. Bonds4

About cyclohexyl 5-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazole-4-carboxylate

cyclohexyl 5-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazole-4-carboxylate (PubChem CID 94946067) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is cyclohexyl 5-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazole-4-carboxylate.

Molecular Properties

Compound Namecyclohexyl 5-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazole-4-carboxylate
PubChem CID94946067
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Namecyclohexyl 5-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazole-4-carboxylate
SMILESCc1noc(C)c1Cn1nnc(C(=O)OC2CCCCC2)c1N
InChIInChI=1S/C15H21N5O3/c1-9-12(10(2)23-18-9)8-20-14(16)13(17-19-20)15(21)22-11-6-4-3-5-7-11/h11H,3-8,16H2,1-2H3
InChIKeyGYQDEZWNCSGMHB-UHFFFAOYSA-N
XLogP2.00
TPSA109.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

cyclohexyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate
CID 78791702
methyl 5-(2-aminoethyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazole-4-carboxylate
CID 103118315
cyclohexyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate
CID 78802072
(2S)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepane-1-carboxamide
CID 95617489
2-cyclopentyloxy-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide
CID 75461539
cyclopropyl-[(2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone
CID 95354750
cyclopentyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate
CID 82202595
cycloheptyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66124109
(3,3-dimethylcyclohexyl) 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate
CID 154841642
ethyl N-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]carbamate
CID 94154330
(2S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 66264676
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]tetrazol-5-yl]acetic acid
CID 84758799

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 5-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazole-4-carboxylate?
The IUPAC name of cyclohexyl 5-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazole-4-carboxylate (CID 94946067) is cyclohexyl 5-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazole-4-carboxylate.
What is the SMILES notation for cyclohexyl 5-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazole-4-carboxylate?
The canonical SMILES for cyclohexyl 5-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazole-4-carboxylate is Cc1noc(C)c1Cn1nnc(C(=O)OC2CCCCC2)c1N.
What is the InChIKey of cyclohexyl 5-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazole-4-carboxylate?
The InChIKey is GYQDEZWNCSGMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-9-12(10(2)23-18-9)8-20-14(16)13(17-19-20)15(21)22-11-6-4-3-5-7-11/h11H,3-8,16H2,1-2H3.
What are the key properties of cyclohexyl 5-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazole-4-carboxylate?
cyclohexyl 5-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazole-4-carboxylate has a molecular weight of 319.37 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 5-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazole-4-carboxylate is sourced from PubChem (CID 94946067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).