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

C15H17N5O2 — CID 17095979

IUPAC3-(1-ethyl-3-methylpyrazol-4-yl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1cc(C2=NOC(C(=O)Nc3cccnc3)C2)c(C)n1
InChIInChI=1S/C15H17N5O2/c1-3-20-9-12(10(2)18-20)13-7-14(22-19-13)15(21)17-11-5-4-6-16-8-11/h4-6,8-9,14H,3,7H2,1-2H3,(H,17,21)
InChIKeyGUYZDOMKFZNUMV-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.74
Rot. Bonds4

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

3-(1-ethyl-3-methylpyrazol-4-yl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 17095979) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-(1-ethyl-3-methylpyrazol-4-yl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-ethyl-3-methylpyrazol-4-yl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID17095979
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name3-(1-ethyl-3-methylpyrazol-4-yl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1cc(C2=NOC(C(=O)Nc3cccnc3)C2)c(C)n1
InChIInChI=1S/C15H17N5O2/c1-3-20-9-12(10(2)18-20)13-7-14(22-19-13)15(21)17-11-5-4-6-16-8-11/h4-6,8-9,14H,3,7H2,1-2H3,(H,17,21)
InChIKeyGUYZDOMKFZNUMV-UHFFFAOYSA-N
XLogP1.74
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-dichlorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19495821
N-(3-chloro-4-methylphenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19495879
N-(2,5-difluorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17026382
(5S)-N-(5-chloro-2-hydroxyphenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40504816
(5S)-3-(1-ethyl-3-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40642728
(5S)-3-(1-ethyl-3-methylpyrazol-4-yl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40642816
3-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 121460770
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
(5R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40642813
N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19496000
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
N-[4-bromo-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19495997

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-3-methylpyrazol-4-yl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(1-ethyl-3-methylpyrazol-4-yl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 17095979) is 3-(1-ethyl-3-methylpyrazol-4-yl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(1-ethyl-3-methylpyrazol-4-yl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(1-ethyl-3-methylpyrazol-4-yl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is CCn1cc(C2=NOC(C(=O)Nc3cccnc3)C2)c(C)n1.
What is the InChIKey of 3-(1-ethyl-3-methylpyrazol-4-yl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is GUYZDOMKFZNUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-3-20-9-12(10(2)18-20)13-7-14(22-19-13)15(21)17-11-5-4-6-16-8-11/h4-6,8-9,14H,3,7H2,1-2H3,(H,17,21).
What are the key properties of 3-(1-ethyl-3-methylpyrazol-4-yl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(1-ethyl-3-methylpyrazol-4-yl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.74, 4 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-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 17095979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).