methyl 3-[3-(4-carbamoylphenyl)propyl]-5-phenyl-1,3-oxazolidine-2-carboxylate

C21H24N2O4 — CID 19847766

IUPACmethyl 3-[3-(4-carbamoylphenyl)propyl]-5-phenyl-1,3-oxazolidine-2-carboxylate
SMILESCOC(=O)C1OC(c2ccccc2)CN1CCCc1ccc(C(N)=O)cc1
InChIInChI=1S/C21H24N2O4/c1-26-21(25)20-23(14-18(27-20)16-7-3-2-4-8-16)13-5-6-15-9-11-17(12-10-15)19(22)24/h2-4,7-12,18,20H,5-6,13-14H2,1H3,(H2,22,24)
InChIKeyYXAVQRDLBRSTJI-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.29
Rot. Bonds7

About methyl 3-[3-(4-carbamoylphenyl)propyl]-5-phenyl-1,3-oxazolidine-2-carboxylate

methyl 3-[3-(4-carbamoylphenyl)propyl]-5-phenyl-1,3-oxazolidine-2-carboxylate (PubChem CID 19847766) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is methyl 3-[3-(4-carbamoylphenyl)propyl]-5-phenyl-1,3-oxazolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[3-(4-carbamoylphenyl)propyl]-5-phenyl-1,3-oxazolidine-2-carboxylate
PubChem CID19847766
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Namemethyl 3-[3-(4-carbamoylphenyl)propyl]-5-phenyl-1,3-oxazolidine-2-carboxylate
SMILESCOC(=O)C1OC(c2ccccc2)CN1CCCc1ccc(C(N)=O)cc1
InChIInChI=1S/C21H24N2O4/c1-26-21(25)20-23(14-18(27-20)16-7-3-2-4-8-16)13-5-6-15-9-11-17(12-10-15)19(22)24/h2-4,7-12,18,20H,5-6,13-14H2,1H3,(H2,22,24)
InChIKeyYXAVQRDLBRSTJI-UHFFFAOYSA-N
XLogP2.29
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(4-carbamoylphenyl)propyl]-5-phenyl-1,3-oxazolidine-2-carboxylate?
The IUPAC name of methyl 3-[3-(4-carbamoylphenyl)propyl]-5-phenyl-1,3-oxazolidine-2-carboxylate (CID 19847766) is methyl 3-[3-(4-carbamoylphenyl)propyl]-5-phenyl-1,3-oxazolidine-2-carboxylate.
What is the SMILES notation for methyl 3-[3-(4-carbamoylphenyl)propyl]-5-phenyl-1,3-oxazolidine-2-carboxylate?
The canonical SMILES for methyl 3-[3-(4-carbamoylphenyl)propyl]-5-phenyl-1,3-oxazolidine-2-carboxylate is COC(=O)C1OC(c2ccccc2)CN1CCCc1ccc(C(N)=O)cc1.
What is the InChIKey of methyl 3-[3-(4-carbamoylphenyl)propyl]-5-phenyl-1,3-oxazolidine-2-carboxylate?
The InChIKey is YXAVQRDLBRSTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-26-21(25)20-23(14-18(27-20)16-7-3-2-4-8-16)13-5-6-15-9-11-17(12-10-15)19(22)24/h2-4,7-12,18,20H,5-6,13-14H2,1H3,(H2,22,24).
What are the key properties of methyl 3-[3-(4-carbamoylphenyl)propyl]-5-phenyl-1,3-oxazolidine-2-carboxylate?
methyl 3-[3-(4-carbamoylphenyl)propyl]-5-phenyl-1,3-oxazolidine-2-carboxylate has a molecular weight of 368.43 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(4-carbamoylphenyl)propyl]-5-phenyl-1,3-oxazolidine-2-carboxylate is sourced from PubChem (CID 19847766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).