(3-methyl-1,2-oxazol-5-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate

C19H27N3O4 — CID 34781575

IUPAC(3-methyl-1,2-oxazol-5-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate
SMILESCc1cc(COC(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)on1
InChIInChI=1S/C19H27N3O4/c1-12-4-16(26-22-12)11-25-17(23)2-3-20-18(24)21-19-8-13-5-14(9-19)7-15(6-13)10-19/h4,13-15H,2-3,5-11H2,1H3,(H2,20,21,24)
InChIKeyUGIPKHQJERSWDL-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.68
Rot. Bonds6

About (3-methyl-1,2-oxazol-5-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate

(3-methyl-1,2-oxazol-5-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate (PubChem CID 34781575) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate
PubChem CID34781575
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate
SMILESCc1cc(COC(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)on1
InChIInChI=1S/C19H27N3O4/c1-12-4-16(26-22-12)11-25-17(23)2-3-20-18(24)21-19-8-13-5-14(9-19)7-15(6-13)10-19/h4,13-15H,2-3,5-11H2,1H3,(H2,20,21,24)
InChIKeyUGIPKHQJERSWDL-UHFFFAOYSA-N
XLogP2.68
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate (CID 34781575) is (3-methyl-1,2-oxazol-5-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate is Cc1cc(COC(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)on1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate?
The InChIKey is UGIPKHQJERSWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-12-4-16(26-22-12)11-25-17(23)2-3-20-18(24)21-19-8-13-5-14(9-19)7-15(6-13)10-19/h4,13-15H,2-3,5-11H2,1H3,(H2,20,21,24).
What are the key properties of (3-methyl-1,2-oxazol-5-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate?
(3-methyl-1,2-oxazol-5-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate has a molecular weight of 361.44 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate is sourced from PubChem (CID 34781575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).