[3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone

C19H25N3O2 — CID 51094040

IUPAC[3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1cc(CNc2ccc(C(=O)N3CCCC(C)C3)cc2C)no1
InChIInChI=1S/C19H25N3O2/c1-13-5-4-8-22(12-13)19(23)16-6-7-18(14(2)9-16)20-11-17-10-15(3)24-21-17/h6-7,9-10,13,20H,4-5,8,11-12H2,1-3H3
InChIKeyBBVVQQCMXMODQZ-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.78
Rot. Bonds4

About [3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone

[3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 51094040) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is [3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID51094040
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name[3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1cc(CNc2ccc(C(=O)N3CCCC(C)C3)cc2C)no1
InChIInChI=1S/C19H25N3O2/c1-13-5-4-8-22(12-13)19(23)16-6-7-18(14(2)9-16)20-11-17-10-15(3)24-21-17/h6-7,9-10,13,20H,4-5,8,11-12H2,1-3H3
InChIKeyBBVVQQCMXMODQZ-UHFFFAOYSA-N
XLogP3.78
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylphenyl]-(3-methylpiperidin-1-yl)methanone
CID 71884742
(4-hydrazinyl-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 63212098
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 95249728
N-(benzylcarbamoyl)-2-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]acetamide
CID 60591166
[3-methyl-4-(propylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone
CID 63213608
(4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 103951613
(3R)-1-(4-methylbenzoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
CID 95190901
1-(4-methylbenzoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
CID 47730082
[5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109240802
1,5-dimethyl-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]pyrrole-2-carboxamide
CID 126768610
N-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048965
(4-methoxy-3-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95970544

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone (CID 51094040) is [3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone is Cc1cc(CNc2ccc(C(=O)N3CCCC(C)C3)cc2C)no1.
What is the InChIKey of [3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is BBVVQQCMXMODQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13-5-4-8-22(12-13)19(23)16-6-7-18(14(2)9-16)20-11-17-10-15(3)24-21-17/h6-7,9-10,13,20H,4-5,8,11-12H2,1-3H3.
What are the key properties of [3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone?
[3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 327.43 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 51094040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).