N-[(2S)-2-(4-methoxyphenoxy)propyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide

C18H20N4O4 — CID 51591839

IUPACN-[(2S)-2-(4-methoxyphenoxy)propyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(O[C@@H](C)CNC(=O)c2cc(-c3cnn(C)c3)on2)cc1
InChIInChI=1S/C18H20N4O4/c1-12(25-15-6-4-14(24-3)5-7-15)9-19-18(23)16-8-17(26-21-16)13-10-20-22(2)11-13/h4-8,10-12H,9H2,1-3H3,(H,19,23)/t12-/m0/s1
InChIKeyFCOCTASHJWOGJE-LBPRGKRZSA-N
MW356.38 g/mol
LogP2.28
Rot. Bonds7

About N-[(2S)-2-(4-methoxyphenoxy)propyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide

N-[(2S)-2-(4-methoxyphenoxy)propyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide (PubChem CID 51591839) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[(2S)-2-(4-methoxyphenoxy)propyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-methoxyphenoxy)propyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
PubChem CID51591839
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC NameN-[(2S)-2-(4-methoxyphenoxy)propyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(O[C@@H](C)CNC(=O)c2cc(-c3cnn(C)c3)on2)cc1
InChIInChI=1S/C18H20N4O4/c1-12(25-15-6-4-14(24-3)5-7-15)9-19-18(23)16-8-17(26-21-16)13-10-20-22(2)11-13/h4-8,10-12H,9H2,1-3H3,(H,19,23)/t12-/m0/s1
InChIKeyFCOCTASHJWOGJE-LBPRGKRZSA-N
XLogP2.28
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-methoxyphenoxy)propyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
CID 46969246
N-[2-(4-chlorophenoxy)propyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 51065323
N-[2-(4-methoxyphenyl)ethyl]-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 52904543
5-(4-methoxyphenyl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 45133034
5-(4-methoxyphenyl)-N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 45132937
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 43843486
N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 42272190
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 17016119
5-(4-methoxyphenyl)-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 45155419
N-butyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3244327
5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 43843573
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 17016099

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methoxyphenoxy)propyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2S)-2-(4-methoxyphenoxy)propyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide (CID 51591839) is N-[(2S)-2-(4-methoxyphenoxy)propyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(4-methoxyphenoxy)propyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(4-methoxyphenoxy)propyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide is COc1ccc(O[C@@H](C)CNC(=O)c2cc(-c3cnn(C)c3)on2)cc1.
What is the InChIKey of N-[(2S)-2-(4-methoxyphenoxy)propyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is FCOCTASHJWOGJE-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-12(25-15-6-4-14(24-3)5-7-15)9-19-18(23)16-8-17(26-21-16)13-10-20-22(2)11-13/h4-8,10-12H,9H2,1-3H3,(H,19,23)/t12-/m0/s1.
What are the key properties of N-[(2S)-2-(4-methoxyphenoxy)propyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
N-[(2S)-2-(4-methoxyphenoxy)propyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-methoxyphenoxy)propyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51591839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).