(3S)-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine

C20H23N5O — CID 95327503

IUPAC(3S)-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESCc1ccc(-c2cc(CN[C@H]3CCCN(c4cccnn4)C3)on2)cc1
InChIInChI=1S/C20H23N5O/c1-15-6-8-16(9-7-15)19-12-18(26-24-19)13-21-17-4-3-11-25(14-17)20-5-2-10-22-23-20/h2,5-10,12,17,21H,3-4,11,13-14H2,1H3/t17-/m0/s1
InChIKeyCKGRPXXLUARRAZ-KRWDZBQOSA-N
MW349.44 g/mol
LogP3.20
Rot. Bonds5

About (3S)-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine

(3S)-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine (PubChem CID 95327503) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (3S)-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine
PubChem CID95327503
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(3S)-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESCc1ccc(-c2cc(CN[C@H]3CCCN(c4cccnn4)C3)on2)cc1
InChIInChI=1S/C20H23N5O/c1-15-6-8-16(9-7-15)19-12-18(26-24-19)13-21-17-4-3-11-25(14-17)20-5-2-10-22-23-20/h2,5-10,12,17,21H,3-4,11,13-14H2,1H3/t17-/m0/s1
InChIKeyCKGRPXXLUARRAZ-KRWDZBQOSA-N
XLogP3.20
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95321236
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 154747903
N-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127375
2-(4-methylphenyl)-1-[(1-pyridazin-3-ylpiperidin-3-yl)amino]propan-2-ol
CID 71933008
N-[(3-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119123985
N-[(5-bromo-2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127371
(3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545142
(3S)-N-[(2-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544986
(3R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95322953
(3R)-N-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95321440
(3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544993
N-(5-methyl-1,2-oxazol-3-yl)-3-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide
CID 95337777

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The IUPAC name of (3S)-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine (CID 95327503) is (3S)-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine.
What is the SMILES notation for (3S)-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The canonical SMILES for (3S)-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine is Cc1ccc(-c2cc(CN[C@H]3CCCN(c4cccnn4)C3)on2)cc1.
What is the InChIKey of (3S)-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The InChIKey is CKGRPXXLUARRAZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15-6-8-16(9-7-15)19-12-18(26-24-19)13-21-17-4-3-11-25(14-17)20-5-2-10-22-23-20/h2,5-10,12,17,21H,3-4,11,13-14H2,1H3/t17-/m0/s1.
What are the key properties of (3S)-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine?
(3S)-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine has a molecular weight of 349.44 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine is sourced from PubChem (CID 95327503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).