(3R)-3-amino-1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-4-(2,5-difluorophenyl)butan-1-one

C19H21F2N3O2 — CID 23645945

IUPAC(3R)-3-amino-1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-4-(2,5-difluorophenyl)butan-1-one
SMILESN[C@@H](CC(=O)N1CCc2oc(C3CC3)nc2C1)Cc1cc(F)ccc1F
InChIInChI=1S/C19H21F2N3O2/c20-13-3-4-15(21)12(7-13)8-14(22)9-18(25)24-6-5-17-16(10-24)23-19(26-17)11-1-2-11/h3-4,7,11,14H,1-2,5-6,8-10,22H2/t14-/m1/s1
InChIKeyUDXLNEJSRGJBIP-CQSZACIVSA-N
MW361.39 g/mol
LogP2.67
Rot. Bonds5

About (3R)-3-amino-1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-4-(2,5-difluorophenyl)butan-1-one

(3R)-3-amino-1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-4-(2,5-difluorophenyl)butan-1-one (PubChem CID 23645945) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is (3R)-3-amino-1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-4-(2,5-difluorophenyl)butan-1-one.

Molecular Properties

Compound Name(3R)-3-amino-1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-4-(2,5-difluorophenyl)butan-1-one
PubChem CID23645945
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC Name(3R)-3-amino-1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-4-(2,5-difluorophenyl)butan-1-one
SMILESN[C@@H](CC(=O)N1CCc2oc(C3CC3)nc2C1)Cc1cc(F)ccc1F
InChIInChI=1S/C19H21F2N3O2/c20-13-3-4-15(21)12(7-13)8-14(22)9-18(25)24-6-5-17-16(10-24)23-19(26-17)11-1-2-11/h3-4,7,11,14H,1-2,5-6,8-10,22H2/t14-/m1/s1
InChIKeyUDXLNEJSRGJBIP-CQSZACIVSA-N
XLogP2.67
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-3-amino-1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-4-(2,5-difluorophenyl)butan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-4-(2,5-difluorophenyl)butan-1-one?
The IUPAC name of (3R)-3-amino-1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-4-(2,5-difluorophenyl)butan-1-one (CID 23645945) is (3R)-3-amino-1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-4-(2,5-difluorophenyl)butan-1-one.
What is the SMILES notation for (3R)-3-amino-1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-4-(2,5-difluorophenyl)butan-1-one?
The canonical SMILES for (3R)-3-amino-1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-4-(2,5-difluorophenyl)butan-1-one is N[C@@H](CC(=O)N1CCc2oc(C3CC3)nc2C1)Cc1cc(F)ccc1F.
What is the InChIKey of (3R)-3-amino-1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-4-(2,5-difluorophenyl)butan-1-one?
The InChIKey is UDXLNEJSRGJBIP-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c20-13-3-4-15(21)12(7-13)8-14(22)9-18(25)24-6-5-17-16(10-24)23-19(26-17)11-1-2-11/h3-4,7,11,14H,1-2,5-6,8-10,22H2/t14-/m1/s1.
What are the key properties of (3R)-3-amino-1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-4-(2,5-difluorophenyl)butan-1-one?
(3R)-3-amino-1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-4-(2,5-difluorophenyl)butan-1-one has a molecular weight of 361.39 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-(2-cyclopropyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-4-(2,5-difluorophenyl)butan-1-one is sourced from PubChem (CID 23645945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).