N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine

C17H22N2O2 — CID 106368879

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESCCc1cnc(CNC2CC(C)(C)Oc3ccccc32)o1
InChIInChI=1S/C17H22N2O2/c1-4-12-10-19-16(20-12)11-18-14-9-17(2,3)21-15-8-6-5-7-13(14)15/h5-8,10,14,18H,4,9,11H2,1-3H3
InChIKeyNONHIGUQCMIHPO-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.63
Rot. Bonds4

About N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine (PubChem CID 106368879) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine
PubChem CID106368879
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESCCc1cnc(CNC2CC(C)(C)Oc3ccccc32)o1
InChIInChI=1S/C17H22N2O2/c1-4-12-10-19-16(20-12)11-18-14-9-17(2,3)21-15-8-6-5-7-13(14)15/h5-8,10,14,18H,4,9,11H2,1-3H3
InChIKeyNONHIGUQCMIHPO-UHFFFAOYSA-N
XLogP3.63
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-3,4-dihydrochromen-4-amine
CID 114955052
2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydrochromen-4-amine
CID 80710353
2-[[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]methyl]phenol
CID 115697977
3-(2-chlorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]cyclobutan-1-amine
CID 106369065
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 106368996
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine
CID 106369246
3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyrrolidine-2,5-dione
CID 106370763
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 115728687
2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N,N-diethylacetamide
CID 115712626
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 103787781
2,2-dimethyl-N-[(1-propan-2-yltriazol-4-yl)methyl]-3,4-dihydrochromen-4-amine
CID 126804261
N'-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-methylethane-1,2-diamine
CID 81142613

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine (CID 106368879) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine is CCc1cnc(CNC2CC(C)(C)Oc3ccccc32)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The InChIKey is NONHIGUQCMIHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-12-10-19-16(20-12)11-18-14-9-17(2,3)21-15-8-6-5-7-13(14)15/h5-8,10,14,18H,4,9,11H2,1-3H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine has a molecular weight of 286.38 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 106368879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).