N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]azetidin-1-yl]-1,3-benzoxazol-5-yl]ethyl]acetamide

C24H27N3O4 — CID 130472744

IUPACN-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]azetidin-1-yl]-1,3-benzoxazol-5-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc2oc(N3CC(Oc4cccc(OCC5CC5)c4)C3)nc2c1
InChIInChI=1S/C24H27N3O4/c1-15(25-16(2)28)18-8-9-23-22(10-18)26-24(31-23)27-12-21(13-27)30-20-5-3-4-19(11-20)29-14-17-6-7-17/h3-5,8-11,15,17,21H,6-7,12-14H2,1-2H3,(H,25,28)
InChIKeyDBHMMAFPOLBYEQ-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.08
Rot. Bonds8

About N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]azetidin-1-yl]-1,3-benzoxazol-5-yl]ethyl]acetamide

N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]azetidin-1-yl]-1,3-benzoxazol-5-yl]ethyl]acetamide (PubChem CID 130472744) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]azetidin-1-yl]-1,3-benzoxazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]azetidin-1-yl]-1,3-benzoxazol-5-yl]ethyl]acetamide
PubChem CID130472744
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC NameN-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]azetidin-1-yl]-1,3-benzoxazol-5-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc2oc(N3CC(Oc4cccc(OCC5CC5)c4)C3)nc2c1
InChIInChI=1S/C24H27N3O4/c1-15(25-16(2)28)18-8-9-23-22(10-18)26-24(31-23)27-12-21(13-27)30-20-5-3-4-19(11-20)29-14-17-6-7-17/h3-5,8-11,15,17,21H,6-7,12-14H2,1-2H3,(H,25,28)
InChIKeyDBHMMAFPOLBYEQ-UHFFFAOYSA-N
XLogP4.08
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]azetidin-1-yl]-1,3-benzoxazol-5-yl]ethyl]acetamide?
The IUPAC name of N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]azetidin-1-yl]-1,3-benzoxazol-5-yl]ethyl]acetamide (CID 130472744) is N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]azetidin-1-yl]-1,3-benzoxazol-5-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]azetidin-1-yl]-1,3-benzoxazol-5-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]azetidin-1-yl]-1,3-benzoxazol-5-yl]ethyl]acetamide is CC(=O)NC(C)c1ccc2oc(N3CC(Oc4cccc(OCC5CC5)c4)C3)nc2c1.
What is the InChIKey of N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]azetidin-1-yl]-1,3-benzoxazol-5-yl]ethyl]acetamide?
The InChIKey is DBHMMAFPOLBYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-15(25-16(2)28)18-8-9-23-22(10-18)26-24(31-23)27-12-21(13-27)30-20-5-3-4-19(11-20)29-14-17-6-7-17/h3-5,8-11,15,17,21H,6-7,12-14H2,1-2H3,(H,25,28).
What are the key properties of N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]azetidin-1-yl]-1,3-benzoxazol-5-yl]ethyl]acetamide?
N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]azetidin-1-yl]-1,3-benzoxazol-5-yl]ethyl]acetamide has a molecular weight of 421.50 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]azetidin-1-yl]-1,3-benzoxazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 130472744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).