4-(aminomethyl)-N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide

C19H23N3O3 — CID 120925225

IUPAC4-(aminomethyl)-N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide
SMILESNCC1(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)CCOCC1
InChIInChI=1S/C19H23N3O3/c20-12-19(7-9-24-10-8-19)18(23)22-15-5-3-13(4-6-15)16-11-21-17(25-16)14-1-2-14/h3-6,11,14H,1-2,7-10,12,20H2,(H,22,23)
InChIKeyBIFKDTPVNQGNJD-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.91
Rot. Bonds5

About 4-(aminomethyl)-N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide

4-(aminomethyl)-N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide (PubChem CID 120925225) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide
PubChem CID120925225
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name4-(aminomethyl)-N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide
SMILESNCC1(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)CCOCC1
InChIInChI=1S/C19H23N3O3/c20-12-19(7-9-24-10-8-19)18(23)22-15-5-3-13(4-6-15)16-11-21-17(25-16)14-1-2-14/h3-6,11,14H,1-2,7-10,12,20H2,(H,22,23)
InChIKeyBIFKDTPVNQGNJD-UHFFFAOYSA-N
XLogP2.91
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide (CID 120925225) is 4-(aminomethyl)-N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide is NCC1(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide?
The InChIKey is BIFKDTPVNQGNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c20-12-19(7-9-24-10-8-19)18(23)22-15-5-3-13(4-6-15)16-11-21-17(25-16)14-1-2-14/h3-6,11,14H,1-2,7-10,12,20H2,(H,22,23).
What are the key properties of 4-(aminomethyl)-N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 120925225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).