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

C15H18N4O3 — CID 40642816

IUPAC(5S)-3-(1-ethyl-3-methylpyrazol-4-yl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1cc(C2=NO[C@H](C(=O)NCc3ccco3)C2)c(C)n1
InChIInChI=1S/C15H18N4O3/c1-3-19-9-12(10(2)17-19)13-7-14(22-18-13)15(20)16-8-11-5-4-6-21-11/h4-6,9,14H,3,7-8H2,1-2H3,(H,16,20)/t14-/m0/s1
InChIKeyYYVHVZCQXRPEAD-AWEZNQCLSA-N
MW302.33 g/mol
LogP1.61
Rot. Bonds5

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

(5S)-3-(1-ethyl-3-methylpyrazol-4-yl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 40642816) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is (5S)-3-(1-ethyl-3-methylpyrazol-4-yl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-3-(1-ethyl-3-methylpyrazol-4-yl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID40642816
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name(5S)-3-(1-ethyl-3-methylpyrazol-4-yl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1cc(C2=NO[C@H](C(=O)NCc3ccco3)C2)c(C)n1
InChIInChI=1S/C15H18N4O3/c1-3-19-9-12(10(2)17-19)13-7-14(22-18-13)15(20)16-8-11-5-4-6-21-11/h4-6,9,14H,3,7-8H2,1-2H3,(H,16,20)/t14-/m0/s1
InChIKeyYYVHVZCQXRPEAD-AWEZNQCLSA-N
XLogP1.61
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5R)-N-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1302290
N-(2,6-dichlorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19495821
(5S)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503726
N-(2,5-difluorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17026382
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-(3-methoxyphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19495864
(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
[3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 17095989
1-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 72918464
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
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
[4-(3-chlorophenyl)piperazin-1-yl]-[3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 17095995

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(1-ethyl-3-methylpyrazol-4-yl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-3-(1-ethyl-3-methylpyrazol-4-yl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 40642816) is (5S)-3-(1-ethyl-3-methylpyrazol-4-yl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-3-(1-ethyl-3-methylpyrazol-4-yl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-3-(1-ethyl-3-methylpyrazol-4-yl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CCn1cc(C2=NO[C@H](C(=O)NCc3ccco3)C2)c(C)n1.
What is the InChIKey of (5S)-3-(1-ethyl-3-methylpyrazol-4-yl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is YYVHVZCQXRPEAD-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-3-19-9-12(10(2)17-19)13-7-14(22-18-13)15(20)16-8-11-5-4-6-21-11/h4-6,9,14H,3,7-8H2,1-2H3,(H,16,20)/t14-/m0/s1.
What are the key properties of (5S)-3-(1-ethyl-3-methylpyrazol-4-yl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5S)-3-(1-ethyl-3-methylpyrazol-4-yl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(1-ethyl-3-methylpyrazol-4-yl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 40642816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).