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

C16H19N5O2 — CID 131902519

IUPACN-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)C3CC(C(C)C)=NO3)cc2)n[nH]1
InChIInChI=1S/C16H19N5O2/c1-9(2)13-8-14(23-21-13)16(22)18-12-6-4-11(5-7-12)15-17-10(3)19-20-15/h4-7,9,14H,8H2,1-3H3,(H,18,22)(H,17,19,20)
InChIKeyMJJBWFBWAPPZKH-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.52
Rot. Bonds4

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

N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 131902519) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID131902519
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)C3CC(C(C)C)=NO3)cc2)n[nH]1
InChIInChI=1S/C16H19N5O2/c1-9(2)13-8-14(23-21-13)16(22)18-12-6-4-11(5-7-12)15-17-10(3)19-20-15/h4-7,9,14H,8H2,1-3H3,(H,18,22)(H,17,19,20)
InChIKeyMJJBWFBWAPPZKH-UHFFFAOYSA-N
XLogP2.52
TPSA92.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 131902519) is N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1nc(-c2ccc(NC(=O)C3CC(C(C)C)=NO3)cc2)n[nH]1.
What is the InChIKey of N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is MJJBWFBWAPPZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-9(2)13-8-14(23-21-13)16(22)18-12-6-4-11(5-7-12)15-17-10(3)19-20-15/h4-7,9,14H,8H2,1-3H3,(H,18,22)(H,17,19,20).
What are the key properties of N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 131902519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).