N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-5-ethyl-1,3-oxazole-4-carboxamide

C16H24N2O4 — CID 91778242

IUPACN-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-5-ethyl-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)N[C@@H]1CCOC[C@H]1OCC1CCC1
InChIInChI=1S/C16H24N2O4/c1-2-13-15(17-10-22-13)16(19)18-12-6-7-20-9-14(12)21-8-11-4-3-5-11/h10-12,14H,2-9H2,1H3,(H,18,19)/t12-,14-/m1/s1
InChIKeySHARHBHDKUNSET-TZMCWYRMSA-N
MW308.38 g/mol
LogP1.94
Rot. Bonds6

About N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-5-ethyl-1,3-oxazole-4-carboxamide

N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-5-ethyl-1,3-oxazole-4-carboxamide (PubChem CID 91778242) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-5-ethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-5-ethyl-1,3-oxazole-4-carboxamide
PubChem CID91778242
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-5-ethyl-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)N[C@@H]1CCOC[C@H]1OCC1CCC1
InChIInChI=1S/C16H24N2O4/c1-2-13-15(17-10-22-13)16(19)18-12-6-7-20-9-14(12)21-8-11-4-3-5-11/h10-12,14H,2-9H2,1H3,(H,18,19)/t12-,14-/m1/s1
InChIKeySHARHBHDKUNSET-TZMCWYRMSA-N
XLogP1.94
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-5-ethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-5-ethyl-1,3-oxazole-4-carboxamide (CID 91778242) is N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-5-ethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-5-ethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-5-ethyl-1,3-oxazole-4-carboxamide is CCc1ocnc1C(=O)N[C@@H]1CCOC[C@H]1OCC1CCC1.
What is the InChIKey of N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-5-ethyl-1,3-oxazole-4-carboxamide?
The InChIKey is SHARHBHDKUNSET-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-2-13-15(17-10-22-13)16(19)18-12-6-7-20-9-14(12)21-8-11-4-3-5-11/h10-12,14H,2-9H2,1H3,(H,18,19)/t12-,14-/m1/s1.
What are the key properties of N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-5-ethyl-1,3-oxazole-4-carboxamide?
N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-5-ethyl-1,3-oxazole-4-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-5-ethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 91778242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).