[5-chloro-7-(morpholin-4-ylmethyl)-1H-indol-2-yl]-[4-(2,3-dihydro-1,3-benzoxazol-7-yl)piperidin-1-yl]methanone

C26H29ClN4O3 — CID 141204958

IUPAC[5-chloro-7-(morpholin-4-ylmethyl)-1H-indol-2-yl]-[4-(2,3-dihydro-1,3-benzoxazol-7-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc2cc(Cl)cc(CN3CCOCC3)c2[nH]1)N1CCC(c2cccc3c2OCN3)CC1
InChIInChI=1S/C26H29ClN4O3/c27-20-12-18-14-23(29-24(18)19(13-20)15-30-8-10-33-11-9-30)26(32)31-6-4-17(5-7-31)21-2-1-3-22-25(21)34-16-28-22/h1-3,12-14,17,28-29H,4-11,15-16H2
InChIKeyBVWPXQBUAZHXNL-UHFFFAOYSA-N
MW481.00 g/mol
LogP4.44
Rot. Bonds4

About [5-chloro-7-(morpholin-4-ylmethyl)-1H-indol-2-yl]-[4-(2,3-dihydro-1,3-benzoxazol-7-yl)piperidin-1-yl]methanone

[5-chloro-7-(morpholin-4-ylmethyl)-1H-indol-2-yl]-[4-(2,3-dihydro-1,3-benzoxazol-7-yl)piperidin-1-yl]methanone (PubChem CID 141204958) has the molecular formula C26H29ClN4O3 and a molecular weight of 481.00 g/mol. Its IUPAC name is [5-chloro-7-(morpholin-4-ylmethyl)-1H-indol-2-yl]-[4-(2,3-dihydro-1,3-benzoxazol-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-chloro-7-(morpholin-4-ylmethyl)-1H-indol-2-yl]-[4-(2,3-dihydro-1,3-benzoxazol-7-yl)piperidin-1-yl]methanone
PubChem CID141204958
Molecular FormulaC26H29ClN4O3
Molecular Weight481.00 g/mol
Exact Mass480.19
IUPAC Name[5-chloro-7-(morpholin-4-ylmethyl)-1H-indol-2-yl]-[4-(2,3-dihydro-1,3-benzoxazol-7-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc2cc(Cl)cc(CN3CCOCC3)c2[nH]1)N1CCC(c2cccc3c2OCN3)CC1
InChIInChI=1S/C26H29ClN4O3/c27-20-12-18-14-23(29-24(18)19(13-20)15-30-8-10-33-11-9-30)26(32)31-6-4-17(5-7-31)21-2-1-3-22-25(21)34-16-28-22/h1-3,12-14,17,28-29H,4-11,15-16H2
InChIKeyBVWPXQBUAZHXNL-UHFFFAOYSA-N
XLogP4.44
TPSA69.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.00
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-7-(morpholin-4-ylmethyl)-1H-indol-2-yl]-[4-(2,3-dihydro-1,3-benzoxazol-7-yl)piperidin-1-yl]methanone?
The IUPAC name of [5-chloro-7-(morpholin-4-ylmethyl)-1H-indol-2-yl]-[4-(2,3-dihydro-1,3-benzoxazol-7-yl)piperidin-1-yl]methanone (CID 141204958) is [5-chloro-7-(morpholin-4-ylmethyl)-1H-indol-2-yl]-[4-(2,3-dihydro-1,3-benzoxazol-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-chloro-7-(morpholin-4-ylmethyl)-1H-indol-2-yl]-[4-(2,3-dihydro-1,3-benzoxazol-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for [5-chloro-7-(morpholin-4-ylmethyl)-1H-indol-2-yl]-[4-(2,3-dihydro-1,3-benzoxazol-7-yl)piperidin-1-yl]methanone is O=C(c1cc2cc(Cl)cc(CN3CCOCC3)c2[nH]1)N1CCC(c2cccc3c2OCN3)CC1.
What is the InChIKey of [5-chloro-7-(morpholin-4-ylmethyl)-1H-indol-2-yl]-[4-(2,3-dihydro-1,3-benzoxazol-7-yl)piperidin-1-yl]methanone?
The InChIKey is BVWPXQBUAZHXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O3/c27-20-12-18-14-23(29-24(18)19(13-20)15-30-8-10-33-11-9-30)26(32)31-6-4-17(5-7-31)21-2-1-3-22-25(21)34-16-28-22/h1-3,12-14,17,28-29H,4-11,15-16H2.
What are the key properties of [5-chloro-7-(morpholin-4-ylmethyl)-1H-indol-2-yl]-[4-(2,3-dihydro-1,3-benzoxazol-7-yl)piperidin-1-yl]methanone?
[5-chloro-7-(morpholin-4-ylmethyl)-1H-indol-2-yl]-[4-(2,3-dihydro-1,3-benzoxazol-7-yl)piperidin-1-yl]methanone has a molecular weight of 481.00 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-7-(morpholin-4-ylmethyl)-1H-indol-2-yl]-[4-(2,3-dihydro-1,3-benzoxazol-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 141204958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).