N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(1,2-oxazolidin-2-yl)propanamide

C18H24N4O2 — CID 45239752

IUPACN-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(1,2-oxazolidin-2-yl)propanamide
SMILESCc1c(C(C)NC(=O)CCN2CCCO2)cnn1-c1ccccc1
InChIInChI=1S/C18H24N4O2/c1-14(20-18(23)9-11-21-10-6-12-24-21)17-13-19-22(15(17)2)16-7-4-3-5-8-16/h3-5,7-8,13-14H,6,9-12H2,1-2H3,(H,20,23)
InChIKeyQUXPITAUDMWIMK-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.39
Rot. Bonds6

About N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(1,2-oxazolidin-2-yl)propanamide

N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(1,2-oxazolidin-2-yl)propanamide (PubChem CID 45239752) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(1,2-oxazolidin-2-yl)propanamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(1,2-oxazolidin-2-yl)propanamide
PubChem CID45239752
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(1,2-oxazolidin-2-yl)propanamide
SMILESCc1c(C(C)NC(=O)CCN2CCCO2)cnn1-c1ccccc1
InChIInChI=1S/C18H24N4O2/c1-14(20-18(23)9-11-21-10-6-12-24-21)17-13-19-22(15(17)2)16-7-4-3-5-8-16/h3-5,7-8,13-14H,6,9-12H2,1-2H3,(H,20,23)
InChIKeyQUXPITAUDMWIMK-UHFFFAOYSA-N
XLogP2.39
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-[(2R)-oxan-2-yl]propanamide
CID 97212156
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CID 46993873
N-[2-[[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 94806257
3-(2,6-dimethylphenoxy)-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]propanamide
CID 47089574
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2-(5-fluoro-2-methylphenyl)-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]acetamide
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3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]propanamide
CID 86944259
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119729024
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1H-indol-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(1,2-oxazolidin-2-yl)propanamide?
The IUPAC name of N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(1,2-oxazolidin-2-yl)propanamide (CID 45239752) is N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(1,2-oxazolidin-2-yl)propanamide.
What is the SMILES notation for N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(1,2-oxazolidin-2-yl)propanamide?
The canonical SMILES for N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(1,2-oxazolidin-2-yl)propanamide is Cc1c(C(C)NC(=O)CCN2CCCO2)cnn1-c1ccccc1.
What is the InChIKey of N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(1,2-oxazolidin-2-yl)propanamide?
The InChIKey is QUXPITAUDMWIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14(20-18(23)9-11-21-10-6-12-24-21)17-13-19-22(15(17)2)16-7-4-3-5-8-16/h3-5,7-8,13-14H,6,9-12H2,1-2H3,(H,20,23).
What are the key properties of N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(1,2-oxazolidin-2-yl)propanamide?
N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(1,2-oxazolidin-2-yl)propanamide has a molecular weight of 328.42 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(1,2-oxazolidin-2-yl)propanamide is sourced from PubChem (CID 45239752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).