N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]azetidin-1-yl]-1,3-benzoxazol-6-yl]ethyl]acetamide

C24H27N3O4 — CID 130472623

IUPACN-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]azetidin-1-yl]-1,3-benzoxazol-6-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc2nc(N3CC(Oc4cccc(OCC5CC5)c4)C3)oc2c1
InChIInChI=1S/C24H27N3O4/c1-15(25-16(2)28)18-8-9-22-23(10-18)31-24(26-22)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)
InChIKeyOQORVSGUAORZBX-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.08
Rot. Bonds8

About N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]azetidin-1-yl]-1,3-benzoxazol-6-yl]ethyl]acetamide

N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]azetidin-1-yl]-1,3-benzoxazol-6-yl]ethyl]acetamide (PubChem CID 130472623) 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-6-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]azetidin-1-yl]-1,3-benzoxazol-6-yl]ethyl]acetamide
PubChem CID130472623
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC NameN-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]azetidin-1-yl]-1,3-benzoxazol-6-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc2nc(N3CC(Oc4cccc(OCC5CC5)c4)C3)oc2c1
InChIInChI=1S/C24H27N3O4/c1-15(25-16(2)28)18-8-9-22-23(10-18)31-24(26-22)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)
InChIKeyOQORVSGUAORZBX-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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Related Compounds

N-[1-[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
CID 130472810
N-(1-(3-ethoxy-5-(tetrahydro-2H-pyran-4-yloxy)benzyl)piperidin-4-yl)benzo[d]oxazol-2-amine
CID 11848625
N-(1-(3,5-diethoxy-4-fluorobenzyl)piperidin-4-yl)benzo[d]oxazol-2-amine
CID 11848626
2-(1-(4-Amino-3,5-diethoxybenzyl)piperidin-4-ylamino)benzo[d]oxazole-5-sulfonamide
CID 11848679
N-(1-(3,5-diisopropoxybenzyl)piperidin-4-yl)benzo[d]oxazol-2-amine
CID 11848833
2-(1-(3,5-Diethoxy-4-fluorobenzyl)piperidin-4-ylamino)benzo[d]oxazole-5-carboxamide
CID 11848835
2-(1-(3,5-Diethoxy-4-fluorobenzyl)piperidin-4-ylamino)benzo[d]oxazole-6-carboxylic acid
CID 16062555
N-(1-(3-ethoxy-4-fluorobenzyl)piperidin-4-yl)benzo[d]oxazol-2-amine
CID 24740862
N-(1-(3-ethoxy-4-methylbenzyl)piperidin-4-yl)benzo[d]oxazol-2-amine
CID 24740864
N-(1-(3-ethoxy-4-(trifluoromethyl)benzyl)piperidin-4-yl)benzo[d]oxazol-2-amine
CID 46882789
N-(1-(4-cyclopropoxy-3-ethoxybenzyl)piperidin-4-yl)benzo[d]oxazol-2-amine
CID 46882790
N-(1-(4-amino-3,5-diethoxybenzyl)piperidin-4-yl)benzo[d]oxazol-2-amine
CID 46882831

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]azetidin-1-yl]-1,3-benzoxazol-6-yl]ethyl]acetamide?
The IUPAC name of N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]azetidin-1-yl]-1,3-benzoxazol-6-yl]ethyl]acetamide (CID 130472623) is N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]azetidin-1-yl]-1,3-benzoxazol-6-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]azetidin-1-yl]-1,3-benzoxazol-6-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]azetidin-1-yl]-1,3-benzoxazol-6-yl]ethyl]acetamide is CC(=O)NC(C)c1ccc2nc(N3CC(Oc4cccc(OCC5CC5)c4)C3)oc2c1.
What is the InChIKey of N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]azetidin-1-yl]-1,3-benzoxazol-6-yl]ethyl]acetamide?
The InChIKey is OQORVSGUAORZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-15(25-16(2)28)18-8-9-22-23(10-18)31-24(26-22)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-6-yl]ethyl]acetamide?
N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]azetidin-1-yl]-1,3-benzoxazol-6-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-6-yl]ethyl]acetamide is sourced from PubChem (CID 130472623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).