1-(1,3-benzoxazol-2-yl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide

C24H25N5O2 — CID 112807608

IUPAC1-(1,3-benzoxazol-2-yl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide
SMILESCc1ccc(Cn2nccc2NC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1
InChIInChI=1S/C24H25N5O2/c1-17-6-8-18(9-7-17)16-29-22(10-13-25-29)27-23(30)19-11-14-28(15-12-19)24-26-20-4-2-3-5-21(20)31-24/h2-10,13,19H,11-12,14-16H2,1H3,(H,27,30)
InChIKeyBPQOKLRXNAWPCM-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.24
Rot. Bonds5

About 1-(1,3-benzoxazol-2-yl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide

1-(1,3-benzoxazol-2-yl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide (PubChem CID 112807608) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide
PubChem CID112807608
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide
SMILESCc1ccc(Cn2nccc2NC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1
InChIInChI=1S/C24H25N5O2/c1-17-6-8-18(9-7-17)16-29-22(10-13-25-29)27-23(30)19-11-14-28(15-12-19)24-26-20-4-2-3-5-21(20)31-24/h2-10,13,19H,11-12,14-16H2,1H3,(H,27,30)
InChIKeyBPQOKLRXNAWPCM-UHFFFAOYSA-N
XLogP4.24
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-benzoxazol-2-yl)-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide
CID 24597757
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
1-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 25337579
1-(1,3-benzoxazol-2-yl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 17421563
1-(1,3-benzoxazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 16594434
1-(1,3-benzoxazol-2-yl)-N'-[2-(4-chlorophenyl)acetyl]piperidine-4-carbohydrazide
CID 46698256
1-(1,3-benzoxazol-2-yl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 17456772
N-(3-acetamidophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 17428124
1-(1,3-benzoxazol-2-yl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 24584538
1-(1,3-benzoxazol-2-yl)-N-(1-cyclopropylethyl)piperidine-4-carboxamide
CID 134012022
1-(1,3-benzoxazol-2-yl)-N-(2-iodophenyl)piperidine-4-carboxamide
CID 16590448
2-[4-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696424

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide (CID 112807608) is 1-(1,3-benzoxazol-2-yl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide is Cc1ccc(Cn2nccc2NC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide?
The InChIKey is BPQOKLRXNAWPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-17-6-8-18(9-7-17)16-29-22(10-13-25-29)27-23(30)19-11-14-28(15-12-19)24-26-20-4-2-3-5-21(20)31-24/h2-10,13,19H,11-12,14-16H2,1H3,(H,27,30).
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 112807608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).