6-[amino-(5-methylfuran-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one

C14H14N2O3 — CID 114820197

IUPAC6-[amino-(5-methylfuran-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCc1cc(C(N)c2ccc3c(c2)oc(=O)n3C)co1
InChIInChI=1S/C14H14N2O3/c1-8-5-10(7-18-8)13(15)9-3-4-11-12(6-9)19-14(17)16(11)2/h3-7,13H,15H2,1-2H3
InChIKeyROMPEDSQNAGBRN-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.08
Rot. Bonds2

About 6-[amino-(5-methylfuran-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one

6-[amino-(5-methylfuran-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one (PubChem CID 114820197) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-[amino-(5-methylfuran-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[amino-(5-methylfuran-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one
PubChem CID114820197
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name6-[amino-(5-methylfuran-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCc1cc(C(N)c2ccc3c(c2)oc(=O)n3C)co1
InChIInChI=1S/C14H14N2O3/c1-8-5-10(7-18-8)13(15)9-3-4-11-12(6-9)19-14(17)16(11)2/h3-7,13H,15H2,1-2H3
InChIKeyROMPEDSQNAGBRN-UHFFFAOYSA-N
XLogP2.08
TPSA74.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[amino-(3-bromophenyl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 62275350
6-[amino-(3-chloro-4-iodophenyl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 103220300
6-(1,2-diamino-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 116932681
6-[amino(1H-imidazol-2-yl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 116835207
6-(1-chloro-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 62300717
6-[amino-(3-bromo-2-fluorophenyl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 107950552
6-(1-bromo-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 62301096
6-(1-aminononyl)-3-methyl-1,3-benzoxazol-2-one
CID 65447465
2-[amino-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]cyclopropane-1-carboxylic acid
CID 116938650
6-[bromo(dimethylamino)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 116915103
4-amino-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanenitrile
CID 116940059
6-[bromo-(2-methylfuran-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 55054345

Frequently Asked Questions

What is the IUPAC name of 6-[amino-(5-methylfuran-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[amino-(5-methylfuran-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one (CID 114820197) is 6-[amino-(5-methylfuran-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[amino-(5-methylfuran-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[amino-(5-methylfuran-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one is Cc1cc(C(N)c2ccc3c(c2)oc(=O)n3C)co1.
What is the InChIKey of 6-[amino-(5-methylfuran-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is ROMPEDSQNAGBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-8-5-10(7-18-8)13(15)9-3-4-11-12(6-9)19-14(17)16(11)2/h3-7,13H,15H2,1-2H3.
What are the key properties of 6-[amino-(5-methylfuran-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one?
6-[amino-(5-methylfuran-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 258.28 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-(5-methylfuran-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 114820197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).