N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C19H19ClN4O2 — CID 3239873

IUPACN-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCc1cc(NC(=O)c2noc3c2CCCC3)nn1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN4O2/c1-12-10-17(22-24(12)11-13-6-8-14(20)9-7-13)21-19(25)18-15-4-2-3-5-16(15)26-23-18/h6-10H,2-5,11H2,1H3,(H,21,22,25)
InChIKeyNJYLDLYUTHYPJC-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.01
Rot. Bonds4

About N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 3239873) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID3239873
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC NameN-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCc1cc(NC(=O)c2noc3c2CCCC3)nn1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN4O2/c1-12-10-17(22-24(12)11-13-6-8-14(20)9-7-13)21-19(25)18-15-4-2-3-5-16(15)26-23-18/h6-10H,2-5,11H2,1H3,(H,21,22,25)
InChIKeyNJYLDLYUTHYPJC-UHFFFAOYSA-N
XLogP4.01
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 3239873) is N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is Cc1cc(NC(=O)c2noc3c2CCCC3)nn1Cc1ccc(Cl)cc1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is NJYLDLYUTHYPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-12-10-17(22-24(12)11-13-6-8-14(20)9-7-13)21-19(25)18-15-4-2-3-5-16(15)26-23-18/h6-10H,2-5,11H2,1H3,(H,21,22,25).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 3239873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).