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

C17H24N2O4 — CID 110878814

IUPAC1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol
SMILESCOc1cc(CNCC(C)O)ccc1OCc1c(C)noc1C
InChIInChI=1S/C17H24N2O4/c1-11(20)8-18-9-14-5-6-16(17(7-14)21-4)22-10-15-12(2)19-23-13(15)3/h5-7,11,18,20H,8-10H2,1-4H3
InChIKeyCGPJJBUQSCTVNA-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.35
Rot. Bonds8

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

1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol (PubChem CID 110878814) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol
PubChem CID110878814
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol
SMILESCOc1cc(CNCC(C)O)ccc1OCc1c(C)noc1C
InChIInChI=1S/C17H24N2O4/c1-11(20)8-18-9-14-5-6-16(17(7-14)21-4)22-10-15-12(2)19-23-13(15)3/h5-7,11,18,20H,8-10H2,1-4H3
InChIKeyCGPJJBUQSCTVNA-UHFFFAOYSA-N
XLogP2.35
TPSA76.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol with MolForge

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Related Compounds

N-[2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methylamino]ethyl]-2-methylpropanamide
CID 32665756
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methanol
CID 28782952
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-[(5-ethylthiophen-2-yl)methyl]methanamine
CID 119111431
(2S)-1-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51560581
1-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol
CID 4719391
4-[(2-methoxy-4-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole
CID 71103207
cis-(1R,2S)-N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-2-methylcyclohexan-1-amine
CID 30612737
N-[[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 63044984
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxyphenyl]methanamine
CID 60879250
N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 60657484
1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]methanamine
CID 32555523
1-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 43391975

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol?
The IUPAC name of 1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol (CID 110878814) is 1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol.
What is the SMILES notation for 1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol?
The canonical SMILES for 1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol is COc1cc(CNCC(C)O)ccc1OCc1c(C)noc1C.
What is the InChIKey of 1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol?
The InChIKey is CGPJJBUQSCTVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-11(20)8-18-9-14-5-6-16(17(7-14)21-4)22-10-15-12(2)19-23-13(15)3/h5-7,11,18,20H,8-10H2,1-4H3.
What are the key properties of 1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol?
1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol has a molecular weight of 320.39 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol is sourced from PubChem (CID 110878814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).