[(3R,4R)-3-[[4-(5-chloro-2-pyridinyl)phenoxy]methyl]oxan-4-yl]carbamic acid

C18H19ClN2O4 — CID 70819480

IUPAC[(3R,4R)-3-[[4-(5-chloro-2-pyridinyl)phenoxy]methyl]oxan-4-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CCOC[C@@H]1COc1ccc(-c2ccc(Cl)cn2)cc1
InChIInChI=1S/C18H19ClN2O4/c19-14-3-6-16(20-9-14)12-1-4-15(5-2-12)25-11-13-10-24-8-7-17(13)21-18(22)23/h1-6,9,13,17,21H,7-8,10-11H2,(H,22,23)/t13-,17-/m1/s1
InChIKeyMRCYHOOUIJCMPG-CXAGYDPISA-N
MW362.81 g/mol
LogP3.45
Rot. Bonds5

About [(3R,4R)-3-[[4-(5-chloro-2-pyridinyl)phenoxy]methyl]oxan-4-yl]carbamic acid

[(3R,4R)-3-[[4-(5-chloro-2-pyridinyl)phenoxy]methyl]oxan-4-yl]carbamic acid (PubChem CID 70819480) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is [(3R,4R)-3-[[4-(5-chloro-2-pyridinyl)phenoxy]methyl]oxan-4-yl]carbamic acid.

Molecular Properties

Compound Name[(3R,4R)-3-[[4-(5-chloro-2-pyridinyl)phenoxy]methyl]oxan-4-yl]carbamic acid
PubChem CID70819480
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name[(3R,4R)-3-[[4-(5-chloro-2-pyridinyl)phenoxy]methyl]oxan-4-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CCOC[C@@H]1COc1ccc(-c2ccc(Cl)cn2)cc1
InChIInChI=1S/C18H19ClN2O4/c19-14-3-6-16(20-9-14)12-1-4-15(5-2-12)25-11-13-10-24-8-7-17(13)21-18(22)23/h1-6,9,13,17,21H,7-8,10-11H2,(H,22,23)/t13-,17-/m1/s1
InChIKeyMRCYHOOUIJCMPG-CXAGYDPISA-N
XLogP3.45
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(3R,4R)-3-[[4-(5-chloro-2-pyridinyl)phenoxy]methyl]oxan-4-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-[[4-(5-chloro-2-pyridinyl)phenoxy]methyl]oxan-4-yl]carbamic acid?
The IUPAC name of [(3R,4R)-3-[[4-(5-chloro-2-pyridinyl)phenoxy]methyl]oxan-4-yl]carbamic acid (CID 70819480) is [(3R,4R)-3-[[4-(5-chloro-2-pyridinyl)phenoxy]methyl]oxan-4-yl]carbamic acid.
What is the SMILES notation for [(3R,4R)-3-[[4-(5-chloro-2-pyridinyl)phenoxy]methyl]oxan-4-yl]carbamic acid?
The canonical SMILES for [(3R,4R)-3-[[4-(5-chloro-2-pyridinyl)phenoxy]methyl]oxan-4-yl]carbamic acid is O=C(O)N[C@@H]1CCOC[C@@H]1COc1ccc(-c2ccc(Cl)cn2)cc1.
What is the InChIKey of [(3R,4R)-3-[[4-(5-chloro-2-pyridinyl)phenoxy]methyl]oxan-4-yl]carbamic acid?
The InChIKey is MRCYHOOUIJCMPG-CXAGYDPISA-N. The full InChI is InChI=1S/C18H19ClN2O4/c19-14-3-6-16(20-9-14)12-1-4-15(5-2-12)25-11-13-10-24-8-7-17(13)21-18(22)23/h1-6,9,13,17,21H,7-8,10-11H2,(H,22,23)/t13-,17-/m1/s1.
What are the key properties of [(3R,4R)-3-[[4-(5-chloro-2-pyridinyl)phenoxy]methyl]oxan-4-yl]carbamic acid?
[(3R,4R)-3-[[4-(5-chloro-2-pyridinyl)phenoxy]methyl]oxan-4-yl]carbamic acid has a molecular weight of 362.81 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-[[4-(5-chloro-2-pyridinyl)phenoxy]methyl]oxan-4-yl]carbamic acid is sourced from PubChem (CID 70819480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).