(2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-propan-2-ylpiperidine-2-carboxamide

C19H25N3O3 — CID 121363302

IUPAC(2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-propan-2-ylpiperidine-2-carboxamide
SMILESCOc1cc(NC(=O)[C@@H]2NCCC[C@@H]2C(C)C)ccc1-c1cnco1
InChIInChI=1S/C19H25N3O3/c1-12(2)14-5-4-8-21-18(14)19(23)22-13-6-7-15(16(9-13)24-3)17-10-20-11-25-17/h6-7,9-12,14,18,21H,4-5,8H2,1-3H3,(H,22,23)/t14-,18-/m1/s1
InChIKeyOIIKHSCLQXVMOG-RDTXWAMCSA-N
MW343.43 g/mol
LogP3.31
Rot. Bonds5

About (2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-propan-2-ylpiperidine-2-carboxamide

(2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-propan-2-ylpiperidine-2-carboxamide (PubChem CID 121363302) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-propan-2-ylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-propan-2-ylpiperidine-2-carboxamide
PubChem CID121363302
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-propan-2-ylpiperidine-2-carboxamide
SMILESCOc1cc(NC(=O)[C@@H]2NCCC[C@@H]2C(C)C)ccc1-c1cnco1
InChIInChI=1S/C19H25N3O3/c1-12(2)14-5-4-8-21-18(14)19(23)22-13-6-7-15(16(9-13)24-3)17-10-20-11-25-17/h6-7,9-12,14,18,21H,4-5,8H2,1-3H3,(H,22,23)/t14-,18-/m1/s1
InChIKeyOIIKHSCLQXVMOG-RDTXWAMCSA-N
XLogP3.31
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-propan-2-ylpiperidine-2-carboxamide 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 (2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-propan-2-ylpiperidine-2-carboxamide?
The IUPAC name of (2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-propan-2-ylpiperidine-2-carboxamide (CID 121363302) is (2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-propan-2-ylpiperidine-2-carboxamide.
What is the SMILES notation for (2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-propan-2-ylpiperidine-2-carboxamide?
The canonical SMILES for (2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-propan-2-ylpiperidine-2-carboxamide is COc1cc(NC(=O)[C@@H]2NCCC[C@@H]2C(C)C)ccc1-c1cnco1.
What is the InChIKey of (2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-propan-2-ylpiperidine-2-carboxamide?
The InChIKey is OIIKHSCLQXVMOG-RDTXWAMCSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-12(2)14-5-4-8-21-18(14)19(23)22-13-6-7-15(16(9-13)24-3)17-10-20-11-25-17/h6-7,9-12,14,18,21H,4-5,8H2,1-3H3,(H,22,23)/t14-,18-/m1/s1.
What are the key properties of (2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-propan-2-ylpiperidine-2-carboxamide?
(2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-propan-2-ylpiperidine-2-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-propan-2-ylpiperidine-2-carboxamide is sourced from PubChem (CID 121363302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).