N,5-dimethyl-1,2-oxazol-3-amine;ethane;formic acid;1-methoxy-4-methylbenzene;pyrrolidin-3-ol

C20H35N3O5 — CID 176952495

IUPACN,5-dimethyl-1,2-oxazol-3-amine;ethane;formic acid;1-methoxy-4-methylbenzene;pyrrolidin-3-ol
SMILESCC.CNc1cc(C)on1.COc1ccc(C)cc1.O=CO.OC1CCNC1
InChIInChI=1S/C8H10O.C5H8N2O.C4H9NO.C2H6.CH2O2/c1-7-3-5-8(9-2)6-4-7;1-4-3-5(6-2)7-8-4;6-4-1-2-5-3-4;1-2;2-1-3/h3-6H,1-2H3;3H,1-2H3,(H,6,7);4-6H,1-3H2;1-2H3;1H,(H,2,3)
InChIKeyDAHROWSUVNFQRZ-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.10
Rot. Bonds2

About N,5-dimethyl-1,2-oxazol-3-amine;ethane;formic acid;1-methoxy-4-methylbenzene;pyrrolidin-3-ol

N,5-dimethyl-1,2-oxazol-3-amine;ethane;formic acid;1-methoxy-4-methylbenzene;pyrrolidin-3-ol (PubChem CID 176952495) has the molecular formula C20H35N3O5 and a molecular weight of 397.52 g/mol. Its IUPAC name is N,5-dimethyl-1,2-oxazol-3-amine;ethane;formic acid;1-methoxy-4-methylbenzene;pyrrolidin-3-ol.

Molecular Properties

Compound NameN,5-dimethyl-1,2-oxazol-3-amine;ethane;formic acid;1-methoxy-4-methylbenzene;pyrrolidin-3-ol
PubChem CID176952495
Molecular FormulaC20H35N3O5
Molecular Weight397.52 g/mol
Exact Mass397.26
IUPAC NameN,5-dimethyl-1,2-oxazol-3-amine;ethane;formic acid;1-methoxy-4-methylbenzene;pyrrolidin-3-ol
SMILESCC.CNc1cc(C)on1.COc1ccc(C)cc1.O=CO.OC1CCNC1
InChIInChI=1S/C8H10O.C5H8N2O.C4H9NO.C2H6.CH2O2/c1-7-3-5-8(9-2)6-4-7;1-4-3-5(6-2)7-8-4;6-4-1-2-5-3-4;1-2;2-1-3/h3-6H,1-2H3;3H,1-2H3,(H,6,7);4-6H,1-3H2;1-2H3;1H,(H,2,3)
InChIKeyDAHROWSUVNFQRZ-UHFFFAOYSA-N
XLogP3.10
TPSA116.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1,2-oxazol-3-amine;ethane;formic acid;1-methoxy-4-methylbenzene;pyrrolidin-3-ol?
The IUPAC name of N,5-dimethyl-1,2-oxazol-3-amine;ethane;formic acid;1-methoxy-4-methylbenzene;pyrrolidin-3-ol (CID 176952495) is N,5-dimethyl-1,2-oxazol-3-amine;ethane;formic acid;1-methoxy-4-methylbenzene;pyrrolidin-3-ol.
What is the SMILES notation for N,5-dimethyl-1,2-oxazol-3-amine;ethane;formic acid;1-methoxy-4-methylbenzene;pyrrolidin-3-ol?
The canonical SMILES for N,5-dimethyl-1,2-oxazol-3-amine;ethane;formic acid;1-methoxy-4-methylbenzene;pyrrolidin-3-ol is CC.CNc1cc(C)on1.COc1ccc(C)cc1.O=CO.OC1CCNC1.
What is the InChIKey of N,5-dimethyl-1,2-oxazol-3-amine;ethane;formic acid;1-methoxy-4-methylbenzene;pyrrolidin-3-ol?
The InChIKey is DAHROWSUVNFQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C5H8N2O.C4H9NO.C2H6.CH2O2/c1-7-3-5-8(9-2)6-4-7;1-4-3-5(6-2)7-8-4;6-4-1-2-5-3-4;1-2;2-1-3/h3-6H,1-2H3;3H,1-2H3,(H,6,7);4-6H,1-3H2;1-2H3;1H,(H,2,3).
What are the key properties of N,5-dimethyl-1,2-oxazol-3-amine;ethane;formic acid;1-methoxy-4-methylbenzene;pyrrolidin-3-ol?
N,5-dimethyl-1,2-oxazol-3-amine;ethane;formic acid;1-methoxy-4-methylbenzene;pyrrolidin-3-ol has a molecular weight of 397.52 g/mol, XLogP of 3.10, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1,2-oxazol-3-amine;ethane;formic acid;1-methoxy-4-methylbenzene;pyrrolidin-3-ol is sourced from PubChem (CID 176952495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).