(3R)-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]oxolane-3-carboxamide

C19H18N2O4 — CID 95156729

IUPAC(3R)-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]oxolane-3-carboxamide
SMILESCOc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CCOC2)cc1
InChIInChI=1S/C19H18N2O4/c1-23-18-10-13(11-20)2-7-17(18)25-16-5-3-15(4-6-16)21-19(22)14-8-9-24-12-14/h2-7,10,14H,8-9,12H2,1H3,(H,21,22)/t14-/m1/s1
InChIKeyWGQGHMKNBWNPJK-CQSZACIVSA-N
MW338.36 g/mol
LogP3.33
Rot. Bonds5

About (3R)-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]oxolane-3-carboxamide

(3R)-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]oxolane-3-carboxamide (PubChem CID 95156729) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is (3R)-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]oxolane-3-carboxamide
PubChem CID95156729
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name(3R)-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]oxolane-3-carboxamide
SMILESCOc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CCOC2)cc1
InChIInChI=1S/C19H18N2O4/c1-23-18-10-13(11-20)2-7-17(18)25-16-5-3-15(4-6-16)21-19(22)14-8-9-24-12-14/h2-7,10,14H,8-9,12H2,1H3,(H,21,22)/t14-/m1/s1
InChIKeyWGQGHMKNBWNPJK-CQSZACIVSA-N
XLogP3.33
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethynylphenyl)oxolane-3-carboxamide
CID 165452095
N-(3-cyclopentyloxy-4-methoxyphenyl)oxolane-3-carboxamide
CID 51094450
methyl 5-[[4-(4-cyano-2-methoxyphenoxy)phenyl]carbamoyl]-1-methylpyrrole-2-carboxylate
CID 166185327
N-[4-(2-methoxyphenoxy)phenyl]piperidine-4-carboxamide
CID 119275432
1-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-[[(1R)-2,2-difluoro-1-methylcyclopropyl]methyl]urea
CID 164635051
N-(5-bromo-2-methoxyphenyl)oxolane-3-carboxamide
CID 47494478
N-(3-chloro-4-methoxyphenyl)oxane-3-carboxamide
CID 110859516
N-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 52850188
N-[4-(4-hydroxybut-1-ynyl)phenyl]oxolane-3-carboxamide
CID 61277289
N-(3-bromo-4-cyanophenyl)oxolane-3-carboxamide
CID 112736097
N-(3-chloro-4-methoxyphenyl)oxane-4-carboxamide
CID 31963649
N-(4-tert-butylphenyl)oxolane-3-carboxamide
CID 47443367

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]oxolane-3-carboxamide?
The IUPAC name of (3R)-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]oxolane-3-carboxamide (CID 95156729) is (3R)-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]oxolane-3-carboxamide is COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CCOC2)cc1.
What is the InChIKey of (3R)-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]oxolane-3-carboxamide?
The InChIKey is WGQGHMKNBWNPJK-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-23-18-10-13(11-20)2-7-17(18)25-16-5-3-15(4-6-16)21-19(22)14-8-9-24-12-14/h2-7,10,14H,8-9,12H2,1H3,(H,21,22)/t14-/m1/s1.
What are the key properties of (3R)-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]oxolane-3-carboxamide?
(3R)-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]oxolane-3-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 95156729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).