4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]pyrrolidin-3-ol

C15H19N3O2 — CID 120961897

IUPAC4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]pyrrolidin-3-ol
SMILESOC1CNCC1CNCc1coc(-c2ccccc2)n1
InChIInChI=1S/C15H19N3O2/c19-14-9-17-7-12(14)6-16-8-13-10-20-15(18-13)11-4-2-1-3-5-11/h1-5,10,12,14,16-17,19H,6-9H2
InChIKeyDDAVEOBTEAHOHB-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.01
Rot. Bonds5

About 4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]pyrrolidin-3-ol

4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]pyrrolidin-3-ol (PubChem CID 120961897) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]pyrrolidin-3-ol
PubChem CID120961897
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]pyrrolidin-3-ol
SMILESOC1CNCC1CNCc1coc(-c2ccccc2)n1
InChIInChI=1S/C15H19N3O2/c19-14-9-17-7-12(14)6-16-8-13-10-20-15(18-13)11-4-2-1-3-5-11/h1-5,10,12,14,16-17,19H,6-9H2
InChIKeyDDAVEOBTEAHOHB-UHFFFAOYSA-N
XLogP1.01
TPSA70.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid
CID 43473610
4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]oxan-4-ol
CID 111698359
(3S,4R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3,4-diol
CID 79411338
1-[(3-hydroxycyclohexyl)methyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 111507631
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 120945682
4-(bromomethyl)-2-phenyl-1,3-oxazole
CID 53421463
1-cyclopentyl-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111779619
5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119782264
4-[[(5-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961758
4-(azetidin-3-yl)-2-phenyl-1,3-oxazole
CID 105452809
3-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid
CID 43468509
1-ethyl-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111552463

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of 4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]pyrrolidin-3-ol (CID 120961897) is 4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]pyrrolidin-3-ol is OC1CNCC1CNCc1coc(-c2ccccc2)n1.
What is the InChIKey of 4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]pyrrolidin-3-ol?
The InChIKey is DDAVEOBTEAHOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-14-9-17-7-12(14)6-16-8-13-10-20-15(18-13)11-4-2-1-3-5-11/h1-5,10,12,14,16-17,19H,6-9H2.
What are the key properties of 4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]pyrrolidin-3-ol?
4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]pyrrolidin-3-ol has a molecular weight of 273.34 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 120961897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).