(2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxamide

C22H25N5O3 — CID 42404371

IUPAC(2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCCN3C(=O)c3cc(C)on3)cc2)n1
InChIInChI=1S/C22H25N5O3/c1-14-12-15(2)27(24-14)18-9-7-17(8-10-18)23-21(28)20-6-4-5-11-26(20)22(29)19-13-16(3)30-25-19/h7-10,12-13,20H,4-6,11H2,1-3H3,(H,23,28)/t20-/m0/s1
InChIKeyYGCAXOLVGURKEO-FQEVSTJZSA-N
MW407.47 g/mol
LogP3.42
Rot. Bonds4

About (2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxamide

(2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxamide (PubChem CID 42404371) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is (2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxamide
PubChem CID42404371
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name(2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCCN3C(=O)c3cc(C)on3)cc2)n1
InChIInChI=1S/C22H25N5O3/c1-14-12-15(2)27(24-14)18-9-7-17(8-10-18)23-21(28)20-6-4-5-11-26(20)22(29)19-13-16(3)30-25-19/h7-10,12-13,20H,4-6,11H2,1-3H3,(H,23,28)/t20-/m0/s1
InChIKeyYGCAXOLVGURKEO-FQEVSTJZSA-N
XLogP3.42
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxamide
CID 42404372
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(1,3-thiazole-4-carbonyl)piperidine-2-carboxamide
CID 45201340
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidine-2-carboxamide
CID 45174140
(2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-2-carboxamide
CID 42566316
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide
CID 24794128
(2S)-1-(3-acetamidopropanoyl)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-2-carboxamide
CID 42461240
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thian-4-yl)piperidine-2-carboxamide
CID 45235295
(2S)-1-(cyclopropylmethyl)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-2-carboxamide
CID 42377399
(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxyethyl)piperidine-2-carboxamide
CID 97280925
(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-ethoxyethyl)piperidine-2-carboxamide
CID 97278533
[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 56778956
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 95602905

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxamide (CID 42404371) is (2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxamide is Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCCN3C(=O)c3cc(C)on3)cc2)n1.
What is the InChIKey of (2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxamide?
The InChIKey is YGCAXOLVGURKEO-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-14-12-15(2)27(24-14)18-9-7-17(8-10-18)23-21(28)20-6-4-5-11-26(20)22(29)19-13-16(3)30-25-19/h7-10,12-13,20H,4-6,11H2,1-3H3,(H,23,28)/t20-/m0/s1.
What are the key properties of (2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxamide?
(2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 42404371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).