(2S)-N-cyclopropyl-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-amine

C18H20FN3O — CID 167526427

IUPAC(2S)-N-cyclopropyl-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-amine
SMILESC[C@H]1COc2nc(NC3CC3)c(Cc3ccc(F)cc3)cc2N1
InChIInChI=1S/C18H20FN3O/c1-11-10-23-18-16(20-11)9-13(17(22-18)21-15-6-7-15)8-12-2-4-14(19)5-3-12/h2-5,9,11,15,20H,6-8,10H2,1H3,(H,21,22)/t11-/m0/s1
InChIKeySJKNIZXHGXOFRY-NSHDSACASA-N
MW313.38 g/mol
LogP3.58
Rot. Bonds4

About (2S)-N-cyclopropyl-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-amine

(2S)-N-cyclopropyl-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-amine (PubChem CID 167526427) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-amine.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-amine
PubChem CID167526427
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name(2S)-N-cyclopropyl-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-amine
SMILESC[C@H]1COc2nc(NC3CC3)c(Cc3ccc(F)cc3)cc2N1
InChIInChI=1S/C18H20FN3O/c1-11-10-23-18-16(20-11)9-13(17(22-18)21-15-6-7-15)8-12-2-4-14(19)5-3-12/h2-5,9,11,15,20H,6-8,10H2,1H3,(H,21,22)/t11-/m0/s1
InChIKeySJKNIZXHGXOFRY-NSHDSACASA-N
XLogP3.58
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-amine?
The IUPAC name of (2S)-N-cyclopropyl-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-amine (CID 167526427) is (2S)-N-cyclopropyl-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-amine.
What is the SMILES notation for (2S)-N-cyclopropyl-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-amine?
The canonical SMILES for (2S)-N-cyclopropyl-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-amine is C[C@H]1COc2nc(NC3CC3)c(Cc3ccc(F)cc3)cc2N1.
What is the InChIKey of (2S)-N-cyclopropyl-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-amine?
The InChIKey is SJKNIZXHGXOFRY-NSHDSACASA-N. The full InChI is InChI=1S/C18H20FN3O/c1-11-10-23-18-16(20-11)9-13(17(22-18)21-15-6-7-15)8-12-2-4-14(19)5-3-12/h2-5,9,11,15,20H,6-8,10H2,1H3,(H,21,22)/t11-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-amine?
(2S)-N-cyclopropyl-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-amine has a molecular weight of 313.38 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-7-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-6-amine is sourced from PubChem (CID 167526427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).