[2-(phenoxymethyl)-1,3-oxazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone

C21H22N4O3 — CID 56710779

IUPAC[2-(phenoxymethyl)-1,3-oxazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone
SMILESO=C(c1coc(COc2ccccc2)n1)N1CCC(Nc2ccccn2)CC1
InChIInChI=1S/C21H22N4O3/c26-21(18-14-28-20(24-18)15-27-17-6-2-1-3-7-17)25-12-9-16(10-13-25)23-19-8-4-5-11-22-19/h1-8,11,14,16H,9-10,12-13,15H2,(H,22,23)
InChIKeyRICMYATTWZQCCI-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.37
Rot. Bonds6

About [2-(phenoxymethyl)-1,3-oxazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone

[2-(phenoxymethyl)-1,3-oxazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone (PubChem CID 56710779) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is [2-(phenoxymethyl)-1,3-oxazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(phenoxymethyl)-1,3-oxazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone
PubChem CID56710779
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name[2-(phenoxymethyl)-1,3-oxazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone
SMILESO=C(c1coc(COc2ccccc2)n1)N1CCC(Nc2ccccn2)CC1
InChIInChI=1S/C21H22N4O3/c26-21(18-14-28-20(24-18)15-27-17-6-2-1-3-7-17)25-12-9-16(10-13-25)23-19-8-4-5-11-22-19/h1-8,11,14,16H,9-10,12-13,15H2,(H,22,23)
InChIKeyRICMYATTWZQCCI-UHFFFAOYSA-N
XLogP3.37
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(phenoxymethyl)-1,3-oxazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azocan-1-yl-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone
CID 25282286
[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone
CID 42197710
[4-(pyridin-2-ylamino)piperidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-yl)methanone
CID 56895447
[2-[(4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 25446692
[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 45229409
[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 56707470
(3-methoxypiperidin-1-yl)-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazol-4-yl]methanone
CID 45200891
(2-phenylazetidin-1-yl)-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone
CID 56714015
(9aS)-2-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 95201666
ethyl 1-[2-[(2-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]piperidine-4-carboxylate
CID 25454862
benzyl 4-[2-(2-aminoethyl)-1,3-oxazole-4-carbonyl]piperazine-1-carboxylate
CID 3855734
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone
CID 119625411

Frequently Asked Questions

What is the IUPAC name of [2-(phenoxymethyl)-1,3-oxazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone?
The IUPAC name of [2-(phenoxymethyl)-1,3-oxazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone (CID 56710779) is [2-(phenoxymethyl)-1,3-oxazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(phenoxymethyl)-1,3-oxazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone?
The canonical SMILES for [2-(phenoxymethyl)-1,3-oxazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone is O=C(c1coc(COc2ccccc2)n1)N1CCC(Nc2ccccn2)CC1.
What is the InChIKey of [2-(phenoxymethyl)-1,3-oxazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone?
The InChIKey is RICMYATTWZQCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c26-21(18-14-28-20(24-18)15-27-17-6-2-1-3-7-17)25-12-9-16(10-13-25)23-19-8-4-5-11-22-19/h1-8,11,14,16H,9-10,12-13,15H2,(H,22,23).
What are the key properties of [2-(phenoxymethyl)-1,3-oxazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone?
[2-(phenoxymethyl)-1,3-oxazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone has a molecular weight of 378.43 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(phenoxymethyl)-1,3-oxazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 56710779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).