3-methoxy-N-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]-1,2-oxazole-5-carboxamide

C13H20N2O4 — CID 97351811

IUPAC3-methoxy-N-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NC[C@@H]2CCO[C@@H]2C(C)C)on1
InChIInChI=1S/C13H20N2O4/c1-8(2)12-9(4-5-18-12)7-14-13(16)10-6-11(17-3)15-19-10/h6,8-9,12H,4-5,7H2,1-3H3,(H,14,16)/t9-,12+/m0/s1
InChIKeyXDZACXMXAHHKFQ-JOYOIKCWSA-N
MW268.31 g/mol
LogP1.47
Rot. Bonds5

About 3-methoxy-N-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]-1,2-oxazole-5-carboxamide

3-methoxy-N-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 97351811) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-methoxy-N-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID97351811
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name3-methoxy-N-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NC[C@@H]2CCO[C@@H]2C(C)C)on1
InChIInChI=1S/C13H20N2O4/c1-8(2)12-9(4-5-18-12)7-14-13(16)10-6-11(17-3)15-19-10/h6,8-9,12H,4-5,7H2,1-3H3,(H,14,16)/t9-,12+/m0/s1
InChIKeyXDZACXMXAHHKFQ-JOYOIKCWSA-N
XLogP1.47
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methoxy-N-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

3-methoxy-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 90573784
3-methoxy-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 90573752
2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]acetic acid
CID 120513531
5-fluoro-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]pyridine-3-carboxamide
CID 129000479
N-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]-1H-pyrazole-5-carboxamide
CID 95973460
4-(aminomethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]benzamide;hydrochloride
CID 119343856
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 129001930
2,4-dimethyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1,3-oxazole-5-carboxamide
CID 100638775
2-(1,2-oxazol-3-yl)-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]acetamide
CID 129003376
N-cyclopentyl-3-methoxy-1,2-oxazole-5-carboxamide
CID 90573780
N-butyl-3-methoxy-1,2-oxazole-5-carboxamide
CID 90573751
3-methoxy-N,N-di(propan-2-yl)-1,2-oxazole-5-carboxamide
CID 90573695

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methoxy-N-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]-1,2-oxazole-5-carboxamide (CID 97351811) is 3-methoxy-N-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methoxy-N-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methoxy-N-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]-1,2-oxazole-5-carboxamide is COc1cc(C(=O)NC[C@@H]2CCO[C@@H]2C(C)C)on1.
What is the InChIKey of 3-methoxy-N-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is XDZACXMXAHHKFQ-JOYOIKCWSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-8(2)12-9(4-5-18-12)7-14-13(16)10-6-11(17-3)15-19-10/h6,8-9,12H,4-5,7H2,1-3H3,(H,14,16)/t9-,12+/m0/s1.
What are the key properties of 3-methoxy-N-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]-1,2-oxazole-5-carboxamide?
3-methoxy-N-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 268.31 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 97351811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).