3-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-(3-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C19H24N4O3 — CID 19495864

IUPAC3-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-(3-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1cc(C2=NOC(C(=O)NC(C)c3cccc(OC)c3)C2)c(C)n1
InChIInChI=1S/C19H24N4O3/c1-5-23-11-16(13(3)21-23)17-10-18(26-22-17)19(24)20-12(2)14-7-6-8-15(9-14)25-4/h6-9,11-12,18H,5,10H2,1-4H3,(H,20,24)
InChIKeyZDPNSCJCBKQVMU-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.59
Rot. Bonds6

About 3-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-(3-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-(3-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 19495864) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-(3-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-(3-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID19495864
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name3-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-(3-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1cc(C2=NOC(C(=O)NC(C)c3cccc(OC)c3)C2)c(C)n1
InChIInChI=1S/C19H24N4O3/c1-5-23-11-16(13(3)21-23)17-10-18(26-22-17)19(24)20-12(2)14-7-6-8-15(9-14)25-4/h6-9,11-12,18H,5,10H2,1-4H3,(H,20,24)
InChIKeyZDPNSCJCBKQVMU-UHFFFAOYSA-N
XLogP2.59
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491499
3-(2,5-dimethoxyphenyl)-N-(1-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095866
3-(1-ethyl-3-methylpyrazol-4-yl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095979
N-(2,5-difluorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17026382
3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493674
3-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19495805
(2R,5S)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102945502
5-[[(1R)-1-(3-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688768
(5R)-3-(5-chlorothiophen-2-yl)-N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 52529799
[3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 17095989
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide
CID 19462831
N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19495823

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-(3-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-(3-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 19495864) is 3-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-(3-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-(3-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-(3-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is CCn1cc(C2=NOC(C(=O)NC(C)c3cccc(OC)c3)C2)c(C)n1.
What is the InChIKey of 3-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-(3-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is ZDPNSCJCBKQVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-5-23-11-16(13(3)21-23)17-10-18(26-22-17)19(24)20-12(2)14-7-6-8-15(9-14)25-4/h6-9,11-12,18H,5,10H2,1-4H3,(H,20,24).
What are the key properties of 3-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-(3-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-(3-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-(3-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 19495864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).