N-benzyl-N-[[(2R,3S)-3-hydroxy-2-methyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide

C18H22N2O4 — CID 100740539

IUPACN-benzyl-N-[[(2R,3S)-3-hydroxy-2-methyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccccc2)C[C@@]2(O)CCO[C@@H]2C)on1
InChIInChI=1S/C18H22N2O4/c1-13-10-16(24-19-13)17(21)20(11-15-6-4-3-5-7-15)12-18(22)8-9-23-14(18)2/h3-7,10,14,22H,8-9,11-12H2,1-2H3/t14-,18+/m1/s1
InChIKeyJGOGTWYKHNQSMU-KDOFPFPSSA-N
MW330.38 g/mol
LogP2.17
Rot. Bonds5

About N-benzyl-N-[[(2R,3S)-3-hydroxy-2-methyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide

N-benzyl-N-[[(2R,3S)-3-hydroxy-2-methyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 100740539) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-benzyl-N-[[(2R,3S)-3-hydroxy-2-methyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[[(2R,3S)-3-hydroxy-2-methyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID100740539
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-benzyl-N-[[(2R,3S)-3-hydroxy-2-methyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccccc2)C[C@@]2(O)CCO[C@@H]2C)on1
InChIInChI=1S/C18H22N2O4/c1-13-10-16(24-19-13)17(21)20(11-15-6-4-3-5-7-15)12-18(22)8-9-23-14(18)2/h3-7,10,14,22H,8-9,11-12H2,1-2H3/t14-,18+/m1/s1
InChIKeyJGOGTWYKHNQSMU-KDOFPFPSSA-N
XLogP2.17
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-benzyl-3-methyl-N-(3,3,3-trifluoropropyl)-1,2-oxazole-5-carboxamide
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CID 140851176
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 107301824
2-benzyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[(2R,3S)-3-hydroxy-2-methyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-benzyl-N-[[(2R,3S)-3-hydroxy-2-methyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 100740539) is N-benzyl-N-[[(2R,3S)-3-hydroxy-2-methyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-benzyl-N-[[(2R,3S)-3-hydroxy-2-methyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-benzyl-N-[[(2R,3S)-3-hydroxy-2-methyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)N(Cc2ccccc2)C[C@@]2(O)CCO[C@@H]2C)on1.
What is the InChIKey of N-benzyl-N-[[(2R,3S)-3-hydroxy-2-methyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is JGOGTWYKHNQSMU-KDOFPFPSSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-13-10-16(24-19-13)17(21)20(11-15-6-4-3-5-7-15)12-18(22)8-9-23-14(18)2/h3-7,10,14,22H,8-9,11-12H2,1-2H3/t14-,18+/m1/s1.
What are the key properties of N-benzyl-N-[[(2R,3S)-3-hydroxy-2-methyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-benzyl-N-[[(2R,3S)-3-hydroxy-2-methyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[(2R,3S)-3-hydroxy-2-methyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 100740539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).