N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C18H23N5O3 — CID 19583643

IUPACN-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCn1ncc(NC(=O)c2noc3c2CCCC3)c1C(=O)N1CCCCC1
InChIInChI=1S/C18H23N5O3/c1-22-16(18(25)23-9-5-2-6-10-23)13(11-19-22)20-17(24)15-12-7-3-4-8-14(12)26-21-15/h11H,2-10H2,1H3,(H,20,24)
InChIKeyRQMINBFGPPISJQ-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.17
Rot. Bonds3

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

N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 19583643) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID19583643
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCn1ncc(NC(=O)c2noc3c2CCCC3)c1C(=O)N1CCCCC1
InChIInChI=1S/C18H23N5O3/c1-22-16(18(25)23-9-5-2-6-10-23)13(11-19-22)20-17(24)15-12-7-3-4-8-14(12)26-21-15/h11H,2-10H2,1H3,(H,20,24)
InChIKeyRQMINBFGPPISJQ-UHFFFAOYSA-N
XLogP2.17
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 19583643) is N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is Cn1ncc(NC(=O)c2noc3c2CCCC3)c1C(=O)N1CCCCC1.
What is the InChIKey of N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is RQMINBFGPPISJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-22-16(18(25)23-9-5-2-6-10-23)13(11-19-22)20-17(24)15-12-7-3-4-8-14(12)26-21-15/h11H,2-10H2,1H3,(H,20,24).
What are the key properties of N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 19583643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).