1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(carbamoylamino)-3-(2-methylphenyl)propanoate

C19H26N4O4 — CID 55601636

IUPAC1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(carbamoylamino)-3-(2-methylphenyl)propanoate
SMILESCc1ccccc1C(CC(=O)OC(C)c1nc(C(C)(C)C)no1)NC(N)=O
InChIInChI=1S/C19H26N4O4/c1-11-8-6-7-9-13(11)14(21-18(20)25)10-15(24)26-12(2)16-22-17(23-27-16)19(3,4)5/h6-9,12,14H,10H2,1-5H3,(H3,20,21,25)
InChIKeyVRMSWSNIIPSYSB-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.08
Rot. Bonds6

About 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(carbamoylamino)-3-(2-methylphenyl)propanoate

1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(carbamoylamino)-3-(2-methylphenyl)propanoate (PubChem CID 55601636) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(carbamoylamino)-3-(2-methylphenyl)propanoate.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(carbamoylamino)-3-(2-methylphenyl)propanoate
PubChem CID55601636
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(carbamoylamino)-3-(2-methylphenyl)propanoate
SMILESCc1ccccc1C(CC(=O)OC(C)c1nc(C(C)(C)C)no1)NC(N)=O
InChIInChI=1S/C19H26N4O4/c1-11-8-6-7-9-13(11)14(21-18(20)25)10-15(24)26-12(2)16-22-17(23-27-16)19(3,4)5/h6-9,12,14H,10H2,1-5H3,(H3,20,21,25)
InChIKeyVRMSWSNIIPSYSB-UHFFFAOYSA-N
XLogP3.08
TPSA120.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(carbamoylamino)-3-(2-methylphenyl)propanoate?
The IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(carbamoylamino)-3-(2-methylphenyl)propanoate (CID 55601636) is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(carbamoylamino)-3-(2-methylphenyl)propanoate.
What is the SMILES notation for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(carbamoylamino)-3-(2-methylphenyl)propanoate?
The canonical SMILES for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(carbamoylamino)-3-(2-methylphenyl)propanoate is Cc1ccccc1C(CC(=O)OC(C)c1nc(C(C)(C)C)no1)NC(N)=O.
What is the InChIKey of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(carbamoylamino)-3-(2-methylphenyl)propanoate?
The InChIKey is VRMSWSNIIPSYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-11-8-6-7-9-13(11)14(21-18(20)25)10-15(24)26-12(2)16-22-17(23-27-16)19(3,4)5/h6-9,12,14H,10H2,1-5H3,(H3,20,21,25).
What are the key properties of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(carbamoylamino)-3-(2-methylphenyl)propanoate?
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(carbamoylamino)-3-(2-methylphenyl)propanoate has a molecular weight of 374.44 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 3-(carbamoylamino)-3-(2-methylphenyl)propanoate is sourced from PubChem (CID 55601636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).