N-(2-methyloxolan-3-yl)-1,3-benzoxazol-2-amine

C12H14N2O2 — CID 82728937

IUPACN-(2-methyloxolan-3-yl)-1,3-benzoxazol-2-amine
SMILESCC1OCCC1Nc1nc2ccccc2o1
InChIInChI=1S/C12H14N2O2/c1-8-9(6-7-15-8)13-12-14-10-4-2-3-5-11(10)16-12/h2-5,8-9H,6-7H2,1H3,(H,13,14)
InChIKeyWAYSCHFRMYMKPB-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.42
Rot. Bonds2

About N-(2-methyloxolan-3-yl)-1,3-benzoxazol-2-amine

N-(2-methyloxolan-3-yl)-1,3-benzoxazol-2-amine (PubChem CID 82728937) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(2-methyloxolan-3-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(2-methyloxolan-3-yl)-1,3-benzoxazol-2-amine
PubChem CID82728937
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-(2-methyloxolan-3-yl)-1,3-benzoxazol-2-amine
SMILESCC1OCCC1Nc1nc2ccccc2o1
InChIInChI=1S/C12H14N2O2/c1-8-9(6-7-15-8)13-12-14-10-4-2-3-5-11(10)16-12/h2-5,8-9H,6-7H2,1H3,(H,13,14)
InChIKeyWAYSCHFRMYMKPB-UHFFFAOYSA-N
XLogP2.42
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-benzoxazol-2-amine
CID 128992031
cis-(1S,2R)-2-N-(1,3-benzoxazol-2-yl)cyclohexane-1,2-diamine
CID 93454080
N-(2,2-dimethyloxan-4-yl)-1,3-benzoxazol-2-amine
CID 115563724
4-(1,3-benzoxazol-2-ylamino)cyclohexan-1-one
CID 138676621
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzoxazol-2-amine
CID 133347923
N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine
CID 108774312
N-pyrrolidin-3-yl-1,3-benzoxazol-2-amine
CID 62381342
N-(3-methoxycyclobutyl)-1,3-benzoxazol-2-amine
CID 104576711
N-(2-cyclopropylpropan-2-yl)-1,3-benzoxazol-2-amine
CID 103703598
N-[4-(aminomethyl)cyclohexyl]-1,3-benzoxazol-2-amine
CID 70938493
2-[(2R)-oxolan-2-yl]-1,3-benzoxazole
CID 122232513
N-(oxan-4-ylmethyl)-1,3-benzoxazol-2-amine
CID 62351549

Frequently Asked Questions

What is the IUPAC name of N-(2-methyloxolan-3-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(2-methyloxolan-3-yl)-1,3-benzoxazol-2-amine (CID 82728937) is N-(2-methyloxolan-3-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(2-methyloxolan-3-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(2-methyloxolan-3-yl)-1,3-benzoxazol-2-amine is CC1OCCC1Nc1nc2ccccc2o1.
What is the InChIKey of N-(2-methyloxolan-3-yl)-1,3-benzoxazol-2-amine?
The InChIKey is WAYSCHFRMYMKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8-9(6-7-15-8)13-12-14-10-4-2-3-5-11(10)16-12/h2-5,8-9H,6-7H2,1H3,(H,13,14).
What are the key properties of N-(2-methyloxolan-3-yl)-1,3-benzoxazol-2-amine?
N-(2-methyloxolan-3-yl)-1,3-benzoxazol-2-amine has a molecular weight of 218.26 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyloxolan-3-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 82728937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).