1-[[2-(6-chloro-4-methyl-3-pyridinyl)-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid

C13H14ClN3O4 — CID 134226850

IUPAC1-[[2-(6-chloro-4-methyl-3-pyridinyl)-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid
SMILESCc1cc(Cl)ncc1-c1ncc(OCC(C)NC(=O)O)o1
InChIInChI=1S/C13H14ClN3O4/c1-7-3-10(14)15-4-9(7)12-16-5-11(21-12)20-6-8(2)17-13(18)19/h3-5,8,17H,6H2,1-2H3,(H,18,19)
InChIKeyMWKKPWPZASANGB-UHFFFAOYSA-N
MW311.73 g/mol
LogP2.73
Rot. Bonds5

About 1-[[2-(6-chloro-4-methyl-3-pyridinyl)-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid

1-[[2-(6-chloro-4-methyl-3-pyridinyl)-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid (PubChem CID 134226850) has the molecular formula C13H14ClN3O4 and a molecular weight of 311.73 g/mol. Its IUPAC name is 1-[[2-(6-chloro-4-methyl-3-pyridinyl)-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid.

Molecular Properties

Compound Name1-[[2-(6-chloro-4-methyl-3-pyridinyl)-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid
PubChem CID134226850
Molecular FormulaC13H14ClN3O4
Molecular Weight311.73 g/mol
Exact Mass311.07
IUPAC Name1-[[2-(6-chloro-4-methyl-3-pyridinyl)-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid
SMILESCc1cc(Cl)ncc1-c1ncc(OCC(C)NC(=O)O)o1
InChIInChI=1S/C13H14ClN3O4/c1-7-3-10(14)15-4-9(7)12-16-5-11(21-12)20-6-8(2)17-13(18)19/h3-5,8,17H,6H2,1-2H3,(H,18,19)
InChIKeyMWKKPWPZASANGB-UHFFFAOYSA-N
XLogP2.73
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.73
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[[2-(6-chloro-4-methyl-3-pyridinyl)-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid with MolForge

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Related Compounds

tert-butyl N-[(2S)-1-[[2-(6-chloro-4-methyl-3-pyridinyl)-1,3-oxazol-5-yl]oxy]propan-2-yl]carbamate
CID 140853259
1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid
CID 134226822
tert-butyl N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]carbamate
CID 140853256
1-(2-chloro-6-methylphenoxy)propan-2-ylcarbamic acid
CID 54136497
6-chloro-4-ethoxycarbonylpyridine-3-carboxylic acid
CID 163257477
[(2S)-1-(4-hydroxyphenoxy)propan-2-yl]carbamic acid
CID 90097336
[(2S)-1-[[6-(6-ethoxy-1,3-benzoxazol-2-yl)-3-pyridinyl]oxy]propan-2-yl]carbamic acid
CID 67778918
[(1R)-1-[4-(2-chloro-5-fluoro-4-pyridinyl)-2-methylphenyl]ethyl]carbamic acid
CID 155288648
[(2S)-1-(4-bromo-3,5-difluorophenoxy)propan-2-yl]carbamic acid
CID 67778385
N-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide
CID 130163146
2-(5-chloro-2-methoxy-4-methylphenyl)-5-ethoxy-1,3-oxazole
CID 116864869
ethyl 5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1H-pyrrole-3-carboxylate
CID 141373422

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(6-chloro-4-methyl-3-pyridinyl)-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid?
The IUPAC name of 1-[[2-(6-chloro-4-methyl-3-pyridinyl)-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid (CID 134226850) is 1-[[2-(6-chloro-4-methyl-3-pyridinyl)-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid.
What is the SMILES notation for 1-[[2-(6-chloro-4-methyl-3-pyridinyl)-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid?
The canonical SMILES for 1-[[2-(6-chloro-4-methyl-3-pyridinyl)-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid is Cc1cc(Cl)ncc1-c1ncc(OCC(C)NC(=O)O)o1.
What is the InChIKey of 1-[[2-(6-chloro-4-methyl-3-pyridinyl)-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid?
The InChIKey is MWKKPWPZASANGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O4/c1-7-3-10(14)15-4-9(7)12-16-5-11(21-12)20-6-8(2)17-13(18)19/h3-5,8,17H,6H2,1-2H3,(H,18,19).
What are the key properties of 1-[[2-(6-chloro-4-methyl-3-pyridinyl)-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid?
1-[[2-(6-chloro-4-methyl-3-pyridinyl)-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid has a molecular weight of 311.73 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(6-chloro-4-methyl-3-pyridinyl)-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid is sourced from PubChem (CID 134226850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).