[2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-oxazol-4-yl]methanol

C13H17N3O2 — CID 113377488

IUPAC[2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-oxazol-4-yl]methanol
SMILESCCN(Cc1cccc(C)n1)c1nc(CO)co1
InChIInChI=1S/C13H17N3O2/c1-3-16(13-15-12(8-17)9-18-13)7-11-6-4-5-10(2)14-11/h4-6,9,17H,3,7-8H2,1-2H3
InChIKeyXQOQJBDYZDMBSH-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.90
Rot. Bonds5

About [2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-oxazol-4-yl]methanol

[2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-oxazol-4-yl]methanol (PubChem CID 113377488) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is [2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-oxazol-4-yl]methanol
PubChem CID113377488
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name[2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-oxazol-4-yl]methanol
SMILESCCN(Cc1cccc(C)n1)c1nc(CO)co1
InChIInChI=1S/C13H17N3O2/c1-3-16(13-15-12(8-17)9-18-13)7-11-6-4-5-10(2)14-11/h4-6,9,17H,3,7-8H2,1-2H3
InChIKeyXQOQJBDYZDMBSH-UHFFFAOYSA-N
XLogP1.90
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methanol
CID 102022866
5-(chloromethyl)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106958149
ethane;(6-methyl-2-pyridinyl)methanol
CID 123372592
(6-methyl-2-pyridinyl)methanol;hydrochloride
CID 18413908
3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]benzoic acid
CID 102823192
2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2,5-diamine
CID 80652405
1-[3-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N,N-bis[(6-methyl-2-pyridinyl)methyl]methanamine
CID 11607609
2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbothioamide
CID 107547773
(1S)-1-[5-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-pyridinyl]ethanol
CID 83131657
3,5,6-trichloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 102751537
3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol
CID 104711102
3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridazine-4-carboxylic acid
CID 80517126

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-oxazol-4-yl]methanol?
The IUPAC name of [2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-oxazol-4-yl]methanol (CID 113377488) is [2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-oxazol-4-yl]methanol is CCN(Cc1cccc(C)n1)c1nc(CO)co1.
What is the InChIKey of [2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-oxazol-4-yl]methanol?
The InChIKey is XQOQJBDYZDMBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-16(13-15-12(8-17)9-18-13)7-11-6-4-5-10(2)14-11/h4-6,9,17H,3,7-8H2,1-2H3.
What are the key properties of [2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-oxazol-4-yl]methanol?
[2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-oxazol-4-yl]methanol has a molecular weight of 247.30 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 113377488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).