2-(3-methyl-1,2-oxazole-4-carbonyl)-N-naphthalen-1-ylpyrazolidine-1-carboxamide

C19H18N4O3 — CID 3749440

IUPAC2-(3-methyl-1,2-oxazole-4-carbonyl)-N-naphthalen-1-ylpyrazolidine-1-carboxamide
SMILESCc1nocc1C(=O)N1CCCN1C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C19H18N4O3/c1-13-16(12-26-21-13)18(24)22-10-5-11-23(22)19(25)20-17-9-4-7-14-6-2-3-8-15(14)17/h2-4,6-9,12H,5,10-11H2,1H3,(H,20,25)
InChIKeySMFOCAPGDXMUGQ-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.43
Rot. Bonds2

About 2-(3-methyl-1,2-oxazole-4-carbonyl)-N-naphthalen-1-ylpyrazolidine-1-carboxamide

2-(3-methyl-1,2-oxazole-4-carbonyl)-N-naphthalen-1-ylpyrazolidine-1-carboxamide (PubChem CID 3749440) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-(3-methyl-1,2-oxazole-4-carbonyl)-N-naphthalen-1-ylpyrazolidine-1-carboxamide.

Molecular Properties

Compound Name2-(3-methyl-1,2-oxazole-4-carbonyl)-N-naphthalen-1-ylpyrazolidine-1-carboxamide
PubChem CID3749440
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name2-(3-methyl-1,2-oxazole-4-carbonyl)-N-naphthalen-1-ylpyrazolidine-1-carboxamide
SMILESCc1nocc1C(=O)N1CCCN1C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C19H18N4O3/c1-13-16(12-26-21-13)18(24)22-10-5-11-23(22)19(25)20-17-9-4-7-14-6-2-3-8-15(14)17/h2-4,6-9,12H,5,10-11H2,1H3,(H,20,25)
InChIKeySMFOCAPGDXMUGQ-UHFFFAOYSA-N
XLogP3.43
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[2-(naphthalen-1-ylcarbamoyl)pyrazolidin-1-yl]-3-oxopropanoate
CID 3687369
2-(3-methylsulfanylpropanoyl)-N-naphthalen-1-ylpyrazolidine-1-carboxamide
CID 3749084
methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate
CID 108884718
N-naphthalen-1-yl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 33142251
(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 7295387
4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 4569000
N-(2,6-diethylphenyl)-2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxamide
CID 5147270
3-(methylamino)-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 62536380
(3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 79411310
4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 3736870
2,2-dimethyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 65460543
2-morpholin-4-yl-N-naphthalen-1-yl-2-oxoacetamide
CID 7333640

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2-oxazole-4-carbonyl)-N-naphthalen-1-ylpyrazolidine-1-carboxamide?
The IUPAC name of 2-(3-methyl-1,2-oxazole-4-carbonyl)-N-naphthalen-1-ylpyrazolidine-1-carboxamide (CID 3749440) is 2-(3-methyl-1,2-oxazole-4-carbonyl)-N-naphthalen-1-ylpyrazolidine-1-carboxamide.
What is the SMILES notation for 2-(3-methyl-1,2-oxazole-4-carbonyl)-N-naphthalen-1-ylpyrazolidine-1-carboxamide?
The canonical SMILES for 2-(3-methyl-1,2-oxazole-4-carbonyl)-N-naphthalen-1-ylpyrazolidine-1-carboxamide is Cc1nocc1C(=O)N1CCCN1C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-(3-methyl-1,2-oxazole-4-carbonyl)-N-naphthalen-1-ylpyrazolidine-1-carboxamide?
The InChIKey is SMFOCAPGDXMUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-13-16(12-26-21-13)18(24)22-10-5-11-23(22)19(25)20-17-9-4-7-14-6-2-3-8-15(14)17/h2-4,6-9,12H,5,10-11H2,1H3,(H,20,25).
What are the key properties of 2-(3-methyl-1,2-oxazole-4-carbonyl)-N-naphthalen-1-ylpyrazolidine-1-carboxamide?
2-(3-methyl-1,2-oxazole-4-carbonyl)-N-naphthalen-1-ylpyrazolidine-1-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2-oxazole-4-carbonyl)-N-naphthalen-1-ylpyrazolidine-1-carboxamide is sourced from PubChem (CID 3749440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).