5-(4-chloro-2-ethoxyphenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-4-methyl-1,2-oxazole-3-carboxamide

C19H23ClN2O4 — CID 25182893

IUPAC5-(4-chloro-2-ethoxyphenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-4-methyl-1,2-oxazole-3-carboxamide
SMILESCCOc1cc(Cl)ccc1-c1onc(C(=O)N[C@@H]2CCC[C@H](O)C2)c1C
InChIInChI=1S/C19H23ClN2O4/c1-3-25-16-9-12(20)7-8-15(16)18-11(2)17(22-26-18)19(24)21-13-5-4-6-14(23)10-13/h7-9,13-14,23H,3-6,10H2,1-2H3,(H,21,24)/t13-,14+/m1/s1
InChIKeyYXJPDWNPRYPUGV-KGLIPLIRSA-N
MW378.86 g/mol
LogP3.74
Rot. Bonds5

About 5-(4-chloro-2-ethoxyphenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-4-methyl-1,2-oxazole-3-carboxamide

5-(4-chloro-2-ethoxyphenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-4-methyl-1,2-oxazole-3-carboxamide (PubChem CID 25182893) has the molecular formula C19H23ClN2O4 and a molecular weight of 378.86 g/mol. Its IUPAC name is 5-(4-chloro-2-ethoxyphenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-4-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chloro-2-ethoxyphenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-4-methyl-1,2-oxazole-3-carboxamide
PubChem CID25182893
Molecular FormulaC19H23ClN2O4
Molecular Weight378.86 g/mol
Exact Mass378.13
IUPAC Name5-(4-chloro-2-ethoxyphenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-4-methyl-1,2-oxazole-3-carboxamide
SMILESCCOc1cc(Cl)ccc1-c1onc(C(=O)N[C@@H]2CCC[C@H](O)C2)c1C
InChIInChI=1S/C19H23ClN2O4/c1-3-25-16-9-12(20)7-8-15(16)18-11(2)17(22-26-18)19(24)21-13-5-4-6-14(23)10-13/h7-9,13-14,23H,3-6,10H2,1-2H3,(H,21,24)/t13-,14+/m1/s1
InChIKeyYXJPDWNPRYPUGV-KGLIPLIRSA-N
XLogP3.74
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-ethoxyphenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-4-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-chloro-2-ethoxyphenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-4-methyl-1,2-oxazole-3-carboxamide (CID 25182893) is 5-(4-chloro-2-ethoxyphenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-4-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-chloro-2-ethoxyphenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-4-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-chloro-2-ethoxyphenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-4-methyl-1,2-oxazole-3-carboxamide is CCOc1cc(Cl)ccc1-c1onc(C(=O)N[C@@H]2CCC[C@H](O)C2)c1C.
What is the InChIKey of 5-(4-chloro-2-ethoxyphenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-4-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is YXJPDWNPRYPUGV-KGLIPLIRSA-N. The full InChI is InChI=1S/C19H23ClN2O4/c1-3-25-16-9-12(20)7-8-15(16)18-11(2)17(22-26-18)19(24)21-13-5-4-6-14(23)10-13/h7-9,13-14,23H,3-6,10H2,1-2H3,(H,21,24)/t13-,14+/m1/s1.
What are the key properties of 5-(4-chloro-2-ethoxyphenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-4-methyl-1,2-oxazole-3-carboxamide?
5-(4-chloro-2-ethoxyphenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-4-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 378.86 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-ethoxyphenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-4-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 25182893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).