methyl-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)carbamic acid

C10H10N2O4 — CID 115170784

IUPACmethyl-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)carbamic acid
SMILESCN(C(=O)O)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C10H10N2O4/c1-11(9(13)14)6-3-4-7-8(5-6)16-10(15)12(7)2/h3-5H,1-2H3,(H,13,14)
InChIKeyBHQBJWOUFMKDJF-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.25
Rot. Bonds1

About methyl-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)carbamic acid

methyl-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)carbamic acid (PubChem CID 115170784) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is methyl-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)carbamic acid.

Molecular Properties

Compound Namemethyl-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)carbamic acid
PubChem CID115170784
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Namemethyl-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)carbamic acid
SMILESCN(C(=O)O)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C10H10N2O4/c1-11(9(13)14)6-3-4-7-8(5-6)16-10(15)12(7)2/h3-5H,1-2H3,(H,13,14)
InChIKeyBHQBJWOUFMKDJF-UHFFFAOYSA-N
XLogP1.25
TPSA75.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)carbamothioic S-acid
CID 115169878
3-hydroxy-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)propanamide
CID 115138921
4-amino-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide
CID 115155233
2-[methyl-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]cyclopropane-1-carboxylic acid
CID 117042610
6-[methoxymethyl(methyl)amino]-3-methyl-1,3-benzoxazol-2-one
CID 115258422
1-cyano-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)formamide
CID 115172068
2-chloro-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 115161945
6-[3-aminobutyl(methyl)amino]-3-methyl-1,3-benzoxazol-2-one
CID 115199203
5-(dimethylamino)-3-methyl-1,3-benzoxazol-2-one
CID 117043635
N-methyl-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]carbamoyl bromide
CID 115193810
6-chloro-3-methyl-1,3-benzoxazol-2-one
CID 843790
methyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate
CID 15122885

Frequently Asked Questions

What is the IUPAC name of methyl-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)carbamic acid?
The IUPAC name of methyl-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)carbamic acid (CID 115170784) is methyl-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)carbamic acid.
What is the SMILES notation for methyl-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)carbamic acid?
The canonical SMILES for methyl-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)carbamic acid is CN(C(=O)O)c1ccc2c(c1)oc(=O)n2C.
What is the InChIKey of methyl-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)carbamic acid?
The InChIKey is BHQBJWOUFMKDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-11(9(13)14)6-3-4-7-8(5-6)16-10(15)12(7)2/h3-5H,1-2H3,(H,13,14).
What are the key properties of methyl-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)carbamic acid?
methyl-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)carbamic acid has a molecular weight of 222.20 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)carbamic acid is sourced from PubChem (CID 115170784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).