N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

C14H21N5O2 — CID 75507211

IUPACN-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2nnc(C(C)C)n2C)no1
InChIInChI=1S/C14H21N5O2/c1-8(2)11-6-10(18-21-11)14(20)15-7-12-16-17-13(9(3)4)19(12)5/h6,8-9H,7H2,1-5H3,(H,15,20)
InChIKeyQGTBXLNESHVYPS-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.98
Rot. Bonds5

About N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 75507211) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID75507211
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC NameN-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2nnc(C(C)C)n2C)no1
InChIInChI=1S/C14H21N5O2/c1-8(2)11-6-10(18-21-11)14(20)15-7-12-16-17-13(9(3)4)19(12)5/h6,8-9H,7H2,1-5H3,(H,15,20)
InChIKeyQGTBXLNESHVYPS-UHFFFAOYSA-N
XLogP1.98
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methyl-1,2-oxazol-3-yl)-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]methanone
CID 51079872
1-Methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 53500443
(5-Methyl-1,2-oxazol-3-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53500485
(5-Cyclopropyl-1,2-oxazol-3-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53502211
5-isopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-propyl-3-isoxazolecarboxamide
CID 70777484
(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 71872852
(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 71872918
[2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
CID 72123318
(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 72123380
(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 72123547
(5-Tert-butyl-1,2-oxazol-3-yl)-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 72125869
(5-Cyclopropyl-1,2-oxazol-3-yl)-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 72142808

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 75507211) is N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is CC(C)c1cc(C(=O)NCc2nnc(C(C)C)n2C)no1.
What is the InChIKey of N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is QGTBXLNESHVYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-8(2)11-6-10(18-21-11)14(20)15-7-12-16-17-13(9(3)4)19(12)5/h6,8-9H,7H2,1-5H3,(H,15,20).
What are the key properties of N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 291.36 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 75507211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).