N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methyl-1,3-benzoxazol-5-amine

C14H16N2O2 — CID 62066523

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methyl-1,3-benzoxazol-5-amine
SMILESCc1nc2cc(NCC3CCC=CO3)ccc2o1
InChIInChI=1S/C14H16N2O2/c1-10-16-13-8-11(5-6-14(13)18-10)15-9-12-4-2-3-7-17-12/h3,5-8,12,15H,2,4,9H2,1H3
InChIKeyJPXGUKUEOABBKT-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.24
Rot. Bonds3

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methyl-1,3-benzoxazol-5-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methyl-1,3-benzoxazol-5-amine (PubChem CID 62066523) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methyl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methyl-1,3-benzoxazol-5-amine
PubChem CID62066523
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methyl-1,3-benzoxazol-5-amine
SMILESCc1nc2cc(NCC3CCC=CO3)ccc2o1
InChIInChI=1S/C14H16N2O2/c1-10-16-13-8-11(5-6-14(13)18-10)15-9-12-4-2-3-7-17-12/h3,5-8,12,15H,2,4,9H2,1H3
InChIKeyJPXGUKUEOABBKT-UHFFFAOYSA-N
XLogP3.24
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)aniline
CID 62064185
N-ethyl-2-methyl-1,3-benzoxazol-5-amine
CID 28676121
2-methyl-N-(2-methylpropyl)-1,3-benzoxazol-5-amine
CID 28675901
N-cyclopentyl-2-methyl-1,3-benzoxazol-5-amine
CID 28675875
2-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzoxazol-5-amine
CID 62656149
4-bromo-3-chloro-N-(3,4-dihydro-2H-pyran-2-ylmethyl)aniline
CID 107619335
5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylisoindole-1,3-dione
CID 62064873
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propan-2-yloxyaniline
CID 62064376
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 62064568
N-(3,4-dihydro-2H-pyran-2-ylmethyl)thiophen-3-amine
CID 66350323
2-methyl-N-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-5-amine
CID 115212658
N'-(2-methyl-1,3-benzoxazol-5-yl)butane-1,4-diamine
CID 115201041

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methyl-1,3-benzoxazol-5-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methyl-1,3-benzoxazol-5-amine (CID 62066523) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methyl-1,3-benzoxazol-5-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methyl-1,3-benzoxazol-5-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methyl-1,3-benzoxazol-5-amine is Cc1nc2cc(NCC3CCC=CO3)ccc2o1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methyl-1,3-benzoxazol-5-amine?
The InChIKey is JPXGUKUEOABBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-16-13-8-11(5-6-14(13)18-10)15-9-12-4-2-3-7-17-12/h3,5-8,12,15H,2,4,9H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methyl-1,3-benzoxazol-5-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methyl-1,3-benzoxazol-5-amine has a molecular weight of 244.29 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methyl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 62066523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).