(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylcarbamic acid;hydrochloride

C8H11ClN2O4 — CID 70634600

IUPAC(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylcarbamic acid;hydrochloride
SMILESCc1noc(C)c1C(=O)N(C)C(=O)O.Cl
InChIInChI=1S/C8H10N2O4.ClH/c1-4-6(5(2)14-9-4)7(11)10(3)8(12)13;/h1-3H3,(H,12,13);1H
InChIKeyDYSPRHSNXBCGGR-UHFFFAOYSA-N
MW234.64 g/mol
LogP1.46
Rot. Bonds1

About (3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylcarbamic acid;hydrochloride

(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylcarbamic acid;hydrochloride (PubChem CID 70634600) has the molecular formula C8H11ClN2O4 and a molecular weight of 234.64 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylcarbamic acid;hydrochloride.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylcarbamic acid;hydrochloride
PubChem CID70634600
Molecular FormulaC8H11ClN2O4
Molecular Weight234.64 g/mol
Exact Mass234.04
IUPAC Name(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylcarbamic acid;hydrochloride
SMILESCc1noc(C)c1C(=O)N(C)C(=O)O.Cl
InChIInChI=1S/C8H10N2O4.ClH/c1-4-6(5(2)14-9-4)7(11)10(3)8(12)13;/h1-3H3,(H,12,13);1H
InChIKeyDYSPRHSNXBCGGR-UHFFFAOYSA-N
XLogP1.46
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.64
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)ethyl-(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid
CID 107423686
N,3,5-trimethyl-N-pyrrolidin-3-yl-1,2-oxazole-4-carboxamide
CID 63297742
(3,5-dimethyl-1,2-oxazol-4-yl)-methylcarbamic acid
CID 149149378
methyl 4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]butanoate
CID 54940779
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62231610
2-bromo-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 88995965
N-(3-hydroxypropyl)-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
CID 54916722
N-[3-[benzyl(methyl)amino]propyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 31588216
N-benzyl-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 23728068
4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 38725800
2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 61263912
5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 62032150

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylcarbamic acid;hydrochloride?
The IUPAC name of (3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylcarbamic acid;hydrochloride (CID 70634600) is (3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylcarbamic acid;hydrochloride.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylcarbamic acid;hydrochloride?
The canonical SMILES for (3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylcarbamic acid;hydrochloride is Cc1noc(C)c1C(=O)N(C)C(=O)O.Cl.
What is the InChIKey of (3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylcarbamic acid;hydrochloride?
The InChIKey is DYSPRHSNXBCGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4.ClH/c1-4-6(5(2)14-9-4)7(11)10(3)8(12)13;/h1-3H3,(H,12,13);1H.
What are the key properties of (3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylcarbamic acid;hydrochloride?
(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylcarbamic acid;hydrochloride has a molecular weight of 234.64 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylcarbamic acid;hydrochloride is sourced from PubChem (CID 70634600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).