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

C17H18FN5O2 — CID 154781363

IUPACN-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1nc(NC(=O)c2cc(C(C)C)on2)n(-c2ccc(F)cc2C)n1
InChIInChI=1S/C17H18FN5O2/c1-9(2)15-8-13(22-25-15)16(24)20-17-19-11(4)21-23(17)14-6-5-12(18)7-10(14)3/h5-9H,1-4H3,(H,19,20,21,24)
InChIKeyMBMBNRPYSBVEGP-UHFFFAOYSA-N
MW343.36 g/mol
LogP3.39
Rot. Bonds4

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

N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 154781363) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID154781363
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC NameN-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1nc(NC(=O)c2cc(C(C)C)on2)n(-c2ccc(F)cc2C)n1
InChIInChI=1S/C17H18FN5O2/c1-9(2)15-8-13(22-25-15)16(24)20-17-19-11(4)21-23(17)14-6-5-12(18)7-10(14)3/h5-9H,1-4H3,(H,19,20,21,24)
InChIKeyMBMBNRPYSBVEGP-UHFFFAOYSA-N
XLogP3.39
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,3-difluorocyclobutyl)-N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]acetamide
CID 167785519
trans-(1R,2R)-N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 167966239
N-(3,4-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 17253289
N-(2,6-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 3076174
N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-(6-oxopiperidin-2-yl)acetamide
CID 154782897
5-propan-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2-oxazole-3-carboxamide
CID 155912764
5-chloro-1-(4-fluoro-2-methylphenyl)-3-propan-2-ylpyrazole
CID 66013919
1-(4-fluoro-2-methylphenyl)-5-propan-2-yltriazole-4-carboxylic acid
CID 43325114
N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 59232393
5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole
CID 66015719
2-(3-amino-5-methylpyrazol-1-yl)-5-fluorobenzamide
CID 114253378
5-amino-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carboxylic acid
CID 153408760

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 154781363) is N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is Cc1nc(NC(=O)c2cc(C(C)C)on2)n(-c2ccc(F)cc2C)n1.
What is the InChIKey of N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is MBMBNRPYSBVEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2/c1-9(2)15-8-13(22-25-15)16(24)20-17-19-11(4)21-23(17)14-6-5-12(18)7-10(14)3/h5-9H,1-4H3,(H,19,20,21,24).
What are the key properties of N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 154781363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).