(2R)-N,N-dimethyl-2-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide

C23H25N3O2 — CID 95201830

IUPAC(2R)-N,N-dimethyl-2-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide
SMILESC[C@H](C(=O)N(C)C)N1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1
InChIInChI=1S/C23H25N3O2/c1-16(23(27)25(2)3)26-14-13-21-20(15-26)22(24-28-21)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,16H,13-15H2,1-3H3/t16-/m1/s1
InChIKeyLPOIBWPXIPRRKY-MRXNPFEDSA-N
MW375.47 g/mol
LogP3.84
Rot. Bonds4

About (2R)-N,N-dimethyl-2-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide

(2R)-N,N-dimethyl-2-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide (PubChem CID 95201830) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-2-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-2-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide
PubChem CID95201830
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name(2R)-N,N-dimethyl-2-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide
SMILESC[C@H](C(=O)N(C)C)N1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1
InChIInChI=1S/C23H25N3O2/c1-16(23(27)25(2)3)26-14-13-21-20(15-26)22(24-28-21)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,16H,13-15H2,1-3H3/t16-/m1/s1
InChIKeyLPOIBWPXIPRRKY-MRXNPFEDSA-N
XLogP3.84
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dimethyl-2-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide?
The IUPAC name of (2R)-N,N-dimethyl-2-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide (CID 95201830) is (2R)-N,N-dimethyl-2-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide.
What is the SMILES notation for (2R)-N,N-dimethyl-2-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide?
The canonical SMILES for (2R)-N,N-dimethyl-2-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide is C[C@H](C(=O)N(C)C)N1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1.
What is the InChIKey of (2R)-N,N-dimethyl-2-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide?
The InChIKey is LPOIBWPXIPRRKY-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16(23(27)25(2)3)26-14-13-21-20(15-26)22(24-28-21)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,16H,13-15H2,1-3H3/t16-/m1/s1.
What are the key properties of (2R)-N,N-dimethyl-2-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide?
(2R)-N,N-dimethyl-2-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide has a molecular weight of 375.47 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-2-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide is sourced from PubChem (CID 95201830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).