3,5-dimethyl-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-4-carboxamide

C14H22N2O4 — CID 97001915

IUPAC3,5-dimethyl-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCCOC[C@@H]1CCCO1
InChIInChI=1S/C14H22N2O4/c1-10-13(11(2)20-16-10)14(17)15-6-4-7-18-9-12-5-3-8-19-12/h12H,3-9H2,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeyDTEOQWQDIYRZNX-LBPRGKRZSA-N
MW282.34 g/mol
LogP1.61
Rot. Bonds7

About 3,5-dimethyl-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-4-carboxamide (PubChem CID 97001915) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3,5-dimethyl-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-4-carboxamide
PubChem CID97001915
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name3,5-dimethyl-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCCOC[C@@H]1CCCO1
InChIInChI=1S/C14H22N2O4/c1-10-13(11(2)20-16-10)14(17)15-6-4-7-18-9-12-5-3-8-19-12/h12H,3-9H2,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeyDTEOQWQDIYRZNX-LBPRGKRZSA-N
XLogP1.61
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000506
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43183574
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
2-bromo-5-cyclopropyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1,3-thiazole-4-carboxamide
CID 124888880
1,5-dimethyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]pyrazole-4-carboxamide
CID 94179237
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 107904862
2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide
CID 94421971
4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 78817984
2-bromo-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 103854604
4-chloro-6-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyridine-3-carboxamide
CID 81227781
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 63680867
3,5-dimethyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-4-carboxamide
CID 91793749

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-4-carboxamide (CID 97001915) is 3,5-dimethyl-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCCCOC[C@@H]1CCCO1.
What is the InChIKey of 3,5-dimethyl-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-4-carboxamide?
The InChIKey is DTEOQWQDIYRZNX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-10-13(11(2)20-16-10)14(17)15-6-4-7-18-9-12-5-3-8-19-12/h12H,3-9H2,1-2H3,(H,15,17)/t12-/m0/s1.
What are the key properties of 3,5-dimethyl-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-4-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 97001915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).