1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol

C16H22N2O3 — CID 78974915

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)CNCc1c(C)noc1C
InChIInChI=1S/C16H22N2O3/c1-11-6-4-5-7-16(11)20-10-14(19)8-17-9-15-12(2)18-21-13(15)3/h4-7,14,17,19H,8-10H2,1-3H3
InChIKeyMZDVNXNEEFNTDC-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.13
Rot. Bonds7

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol (PubChem CID 78974915) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol
PubChem CID78974915
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)CNCc1c(C)noc1C
InChIInChI=1S/C16H22N2O3/c1-11-6-4-5-7-16(11)20-10-14(19)8-17-9-15-12(2)18-21-13(15)3/h4-7,14,17,19H,8-10H2,1-3H3
InChIKeyMZDVNXNEEFNTDC-UHFFFAOYSA-N
XLogP2.13
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 78971544
1-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 106370990
1-(2-methylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60634071
1-(2-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632285
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 79242489
1-[(4-fluorophenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 60632137
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 78974816
(2S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propane-1,2-diol
CID 79241777
1-(2-methylphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61042993
1-(2,2-dimethylhydrazinyl)-3-(2-methylphenoxy)propan-2-ol
CID 83014355
1-cyclopentyloxy-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propan-2-ol
CID 78974797
1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60633605

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol (CID 78974915) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol is Cc1ccccc1OCC(O)CNCc1c(C)noc1C.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is MZDVNXNEEFNTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-6-4-5-7-16(11)20-10-14(19)8-17-9-15-12(2)18-21-13(15)3/h4-7,14,17,19H,8-10H2,1-3H3.
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 290.36 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 78974915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).