N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide

C14H22N2O3 — CID 129001930

IUPACN-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)on1
InChIInChI=1S/C14H22N2O3/c1-9-7-11(19-16-9)13(17)15-8-10-5-6-18-12(10)14(2,3)4/h7,10,12H,5-6,8H2,1-4H3,(H,15,17)/t10-,12+/m1/s1
InChIKeyGSRPBHMBHHUBGB-PWSUYJOCSA-N
MW266.34 g/mol
LogP2.16
Rot. Bonds3

About N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide

N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 129001930) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID129001930
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)on1
InChIInChI=1S/C14H22N2O3/c1-9-7-11(19-16-9)13(17)15-8-10-5-6-18-12(10)14(2,3)4/h7,10,12H,5-6,8H2,1-4H3,(H,15,17)/t10-,12+/m1/s1
InChIKeyGSRPBHMBHHUBGB-PWSUYJOCSA-N
XLogP2.16
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 114317011
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
CID 99830316
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-ethylfuran-2-carboxamide
CID 129003470
N-[(3-hydroxycyclopentyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 103280197
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-ethyl-3-methylfuran-2-carboxamide
CID 128998815
N-[(3-chlorocyclopentyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 106127580
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1,2,5-thiadiazole-3-carboxamide
CID 129001929
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-ethylpyrazole-3-carboxamide
CID 128999502
3-methoxy-N-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 97351811
3-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119464222
3-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 99827620
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-fluoropyridine-4-carboxamide
CID 129003469

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 129001930) is N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)on1.
What is the InChIKey of N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is GSRPBHMBHHUBGB-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9-7-11(19-16-9)13(17)15-8-10-5-6-18-12(10)14(2,3)4/h7,10,12H,5-6,8H2,1-4H3,(H,15,17)/t10-,12+/m1/s1.
What are the key properties of N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 129001930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).