[5-(pyridin-2-ylmethylamino)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]methanol

C14H17N3O2 — CID 155871563

IUPAC[5-(pyridin-2-ylmethylamino)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]methanol
SMILESOCc1noc2c1CC(NCc1ccccn1)CC2
InChIInChI=1S/C14H17N3O2/c18-9-13-12-7-10(4-5-14(12)19-17-13)16-8-11-3-1-2-6-15-11/h1-3,6,10,16,18H,4-5,7-9H2
InChIKeyDIJHHGJNMBGCGE-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.21
Rot. Bonds4

About [5-(pyridin-2-ylmethylamino)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]methanol

[5-(pyridin-2-ylmethylamino)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]methanol (PubChem CID 155871563) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is [5-(pyridin-2-ylmethylamino)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(pyridin-2-ylmethylamino)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]methanol
PubChem CID155871563
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name[5-(pyridin-2-ylmethylamino)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]methanol
SMILESOCc1noc2c1CC(NCc1ccccn1)CC2
InChIInChI=1S/C14H17N3O2/c18-9-13-12-7-10(4-5-14(12)19-17-13)16-8-11-3-1-2-6-15-11/h1-3,6,10,16,18H,4-5,7-9H2
InChIKeyDIJHHGJNMBGCGE-UHFFFAOYSA-N
XLogP1.21
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanol
CID 97405891
ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
(5R)-5-methyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 40651666
3-[(dimethylamino)methyl]-N-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-5-amine
CID 155875497
3-[(dimethylamino)methyl]-N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-5-amine
CID 155875502
7-methoxy-N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510271
N-[(2-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-amine
CID 155876398
oxalic acid;N-(pyridin-2-ylmethyl)cyclopentanamine
CID 17052919
N-(pyridin-2-ylmethyl)cyclopent-3-en-1-amine
CID 115696455
N-[[5-[(2-fluorophenyl)methylamino]-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]methyl]methanesulfonamide
CID 155873262
4-(pyridin-2-ylmethylamino)cyclohexane-1-carboxamide
CID 43433255
N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]pyridine-2-carboxamide
CID 155870871

Frequently Asked Questions

What is the IUPAC name of [5-(pyridin-2-ylmethylamino)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]methanol?
The IUPAC name of [5-(pyridin-2-ylmethylamino)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]methanol (CID 155871563) is [5-(pyridin-2-ylmethylamino)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]methanol.
What is the SMILES notation for [5-(pyridin-2-ylmethylamino)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]methanol?
The canonical SMILES for [5-(pyridin-2-ylmethylamino)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]methanol is OCc1noc2c1CC(NCc1ccccn1)CC2.
What is the InChIKey of [5-(pyridin-2-ylmethylamino)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]methanol?
The InChIKey is DIJHHGJNMBGCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-9-13-12-7-10(4-5-14(12)19-17-13)16-8-11-3-1-2-6-15-11/h1-3,6,10,16,18H,4-5,7-9H2.
What are the key properties of [5-(pyridin-2-ylmethylamino)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]methanol?
[5-(pyridin-2-ylmethylamino)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]methanol has a molecular weight of 259.31 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(pyridin-2-ylmethylamino)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]methanol is sourced from PubChem (CID 155871563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).