cis-(1R,2S)-N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-2-methylcyclohexan-1-amine

C21H30N2O3 — CID 30612737

IUPACcis-(1R,2S)-N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-2-methylcyclohexan-1-amine
SMILESCOc1cc(CN[C@@H]2CCCC[C@@H]2C)ccc1OCc1c(C)noc1C
InChIInChI=1S/C21H30N2O3/c1-14-7-5-6-8-19(14)22-12-17-9-10-20(21(11-17)24-4)25-13-18-15(2)23-26-16(18)3/h9-11,14,19,22H,5-8,12-13H2,1-4H3/t14-,19+/m0/s1
InChIKeyZIKMGVKDGDHWAM-IFXJQAMLSA-N
MW358.48 g/mol
LogP4.55
Rot. Bonds7

About cis-(1R,2S)-N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-2-methylcyclohexan-1-amine

cis-(1R,2S)-N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-2-methylcyclohexan-1-amine (PubChem CID 30612737) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is cis-(1R,2S)-N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-2-methylcyclohexan-1-amine
PubChem CID30612737
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Namecis-(1R,2S)-N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-2-methylcyclohexan-1-amine
SMILESCOc1cc(CN[C@@H]2CCCC[C@@H]2C)ccc1OCc1c(C)noc1C
InChIInChI=1S/C21H30N2O3/c1-14-7-5-6-8-19(14)22-12-17-9-10-20(21(11-17)24-4)25-13-18-15(2)23-26-16(18)3/h9-11,14,19,22H,5-8,12-13H2,1-4H3/t14-,19+/m0/s1
InChIKeyZIKMGVKDGDHWAM-IFXJQAMLSA-N
XLogP4.55
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[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]methylamino]propan-2-ol
CID 110878814
N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)cyclopentan-1-amine
CID 46955142
N-[(4-methoxy-3-methylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 55171660
4-[(2-methoxy-4-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole
CID 71103207
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-[(5-ethylthiophen-2-yl)methyl]methanamine
CID 119111431
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxyphenyl]methanamine
CID 60879250
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
N-[2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methylamino]ethyl]-2-methylpropanamide
CID 32665756
2-methoxy-5-[[(2-methylcyclopentyl)amino]methyl]benzonitrile
CID 65340963
2-[2-methoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 119123900
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxybenzamide
CID 24553270

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-2-methylcyclohexan-1-amine?
The IUPAC name of cis-(1R,2S)-N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-2-methylcyclohexan-1-amine (CID 30612737) is cis-(1R,2S)-N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for cis-(1R,2S)-N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for cis-(1R,2S)-N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-2-methylcyclohexan-1-amine is COc1cc(CN[C@@H]2CCCC[C@@H]2C)ccc1OCc1c(C)noc1C.
What is the InChIKey of cis-(1R,2S)-N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-2-methylcyclohexan-1-amine?
The InChIKey is ZIKMGVKDGDHWAM-IFXJQAMLSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-14-7-5-6-8-19(14)22-12-17-9-10-20(21(11-17)24-4)25-13-18-15(2)23-26-16(18)3/h9-11,14,19,22H,5-8,12-13H2,1-4H3/t14-,19+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-2-methylcyclohexan-1-amine?
cis-(1R,2S)-N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-2-methylcyclohexan-1-amine has a molecular weight of 358.48 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 30612737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).