5-(azetidin-3-yloxy)-N-[(1R)-1-[3-[5-[(cyclopentylamino)methyl]-1,3-oxazol-2-yl]phenyl]ethyl]-2-methylbenzamide

C28H34N4O3 — CID 177377595

IUPAC5-(azetidin-3-yloxy)-N-[(1R)-1-[3-[5-[(cyclopentylamino)methyl]-1,3-oxazol-2-yl]phenyl]ethyl]-2-methylbenzamide
SMILESCc1ccc(OC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ncc(CNC3CCCC3)o2)c1
InChIInChI=1S/C28H34N4O3/c1-18-10-11-23(34-24-14-29-15-24)13-26(18)27(33)32-19(2)20-6-5-7-21(12-20)28-31-17-25(35-28)16-30-22-8-3-4-9-22/h5-7,10-13,17,19,22,24,29-30H,3-4,8-9,14-16H2,1-2H3,(H,32,33)/t19-/m1/s1
InChIKeyNXXDOYZQVAIETF-LJQANCHMSA-N
MW474.61 g/mol
LogP4.52
Rot. Bonds9

About 5-(azetidin-3-yloxy)-N-[(1R)-1-[3-[5-[(cyclopentylamino)methyl]-1,3-oxazol-2-yl]phenyl]ethyl]-2-methylbenzamide

5-(azetidin-3-yloxy)-N-[(1R)-1-[3-[5-[(cyclopentylamino)methyl]-1,3-oxazol-2-yl]phenyl]ethyl]-2-methylbenzamide (PubChem CID 177377595) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is 5-(azetidin-3-yloxy)-N-[(1R)-1-[3-[5-[(cyclopentylamino)methyl]-1,3-oxazol-2-yl]phenyl]ethyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(azetidin-3-yloxy)-N-[(1R)-1-[3-[5-[(cyclopentylamino)methyl]-1,3-oxazol-2-yl]phenyl]ethyl]-2-methylbenzamide
PubChem CID177377595
Molecular FormulaC28H34N4O3
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC Name5-(azetidin-3-yloxy)-N-[(1R)-1-[3-[5-[(cyclopentylamino)methyl]-1,3-oxazol-2-yl]phenyl]ethyl]-2-methylbenzamide
SMILESCc1ccc(OC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ncc(CNC3CCCC3)o2)c1
InChIInChI=1S/C28H34N4O3/c1-18-10-11-23(34-24-14-29-15-24)13-26(18)27(33)32-19(2)20-6-5-7-21(12-20)28-31-17-25(35-28)16-30-22-8-3-4-9-22/h5-7,10-13,17,19,22,24,29-30H,3-4,8-9,14-16H2,1-2H3,(H,32,33)/t19-/m1/s1
InChIKeyNXXDOYZQVAIETF-LJQANCHMSA-N
XLogP4.52
TPSA88.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yloxy)-N-[(1R)-1-[3-[5-[(cyclopentylamino)methyl]-1,3-oxazol-2-yl]phenyl]ethyl]-2-methylbenzamide?
The IUPAC name of 5-(azetidin-3-yloxy)-N-[(1R)-1-[3-[5-[(cyclopentylamino)methyl]-1,3-oxazol-2-yl]phenyl]ethyl]-2-methylbenzamide (CID 177377595) is 5-(azetidin-3-yloxy)-N-[(1R)-1-[3-[5-[(cyclopentylamino)methyl]-1,3-oxazol-2-yl]phenyl]ethyl]-2-methylbenzamide.
What is the SMILES notation for 5-(azetidin-3-yloxy)-N-[(1R)-1-[3-[5-[(cyclopentylamino)methyl]-1,3-oxazol-2-yl]phenyl]ethyl]-2-methylbenzamide?
The canonical SMILES for 5-(azetidin-3-yloxy)-N-[(1R)-1-[3-[5-[(cyclopentylamino)methyl]-1,3-oxazol-2-yl]phenyl]ethyl]-2-methylbenzamide is Cc1ccc(OC2CNC2)cc1C(=O)N[C@H](C)c1cccc(-c2ncc(CNC3CCCC3)o2)c1.
What is the InChIKey of 5-(azetidin-3-yloxy)-N-[(1R)-1-[3-[5-[(cyclopentylamino)methyl]-1,3-oxazol-2-yl]phenyl]ethyl]-2-methylbenzamide?
The InChIKey is NXXDOYZQVAIETF-LJQANCHMSA-N. The full InChI is InChI=1S/C28H34N4O3/c1-18-10-11-23(34-24-14-29-15-24)13-26(18)27(33)32-19(2)20-6-5-7-21(12-20)28-31-17-25(35-28)16-30-22-8-3-4-9-22/h5-7,10-13,17,19,22,24,29-30H,3-4,8-9,14-16H2,1-2H3,(H,32,33)/t19-/m1/s1.
What are the key properties of 5-(azetidin-3-yloxy)-N-[(1R)-1-[3-[5-[(cyclopentylamino)methyl]-1,3-oxazol-2-yl]phenyl]ethyl]-2-methylbenzamide?
5-(azetidin-3-yloxy)-N-[(1R)-1-[3-[5-[(cyclopentylamino)methyl]-1,3-oxazol-2-yl]phenyl]ethyl]-2-methylbenzamide has a molecular weight of 474.61 g/mol, XLogP of 4.52, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yloxy)-N-[(1R)-1-[3-[5-[(cyclopentylamino)methyl]-1,3-oxazol-2-yl]phenyl]ethyl]-2-methylbenzamide is sourced from PubChem (CID 177377595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).