N-(2,3-dihydroxy-2-methylpropyl)-3-methyl-1,2-oxazole-5-carboxamide

C9H14N2O4 — CID 66168971

IUPACN-(2,3-dihydroxy-2-methylpropyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCC(C)(O)CO)on1
InChIInChI=1S/C9H14N2O4/c1-6-3-7(15-11-6)8(13)10-4-9(2,14)5-12/h3,12,14H,4-5H2,1-2H3,(H,10,13)
InChIKeyPPFBSWDOAAUIMQ-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.54
Rot. Bonds4

About N-(2,3-dihydroxy-2-methylpropyl)-3-methyl-1,2-oxazole-5-carboxamide

N-(2,3-dihydroxy-2-methylpropyl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 66168971) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is N-(2,3-dihydroxy-2-methylpropyl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-2-methylpropyl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID66168971
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC NameN-(2,3-dihydroxy-2-methylpropyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCC(C)(O)CO)on1
InChIInChI=1S/C9H14N2O4/c1-6-3-7(15-11-6)8(13)10-4-9(2,14)5-12/h3,12,14H,4-5H2,1-2H3,(H,10,13)
InChIKeyPPFBSWDOAAUIMQ-UHFFFAOYSA-N
XLogP-0.54
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-3-methyl-1,2-oxazole-5-carboxamide (CID 66168971) is N-(2,3-dihydroxy-2-methylpropyl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NCC(C)(O)CO)on1.
What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is PPFBSWDOAAUIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-6-3-7(15-11-6)8(13)10-4-9(2,14)5-12/h3,12,14H,4-5H2,1-2H3,(H,10,13).
What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)-3-methyl-1,2-oxazole-5-carboxamide?
N-(2,3-dihydroxy-2-methylpropyl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 214.22 g/mol, XLogP of -0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-2-methylpropyl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 66168971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).