2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole-5-carboxamide

C15H18N4O3 — CID 135148582

IUPAC2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole-5-carboxamide
SMILESNC(=O)c1ccc2oc(N3CC(N4CCOCC4)C3)nc2c1
InChIInChI=1S/C15H18N4O3/c16-14(20)10-1-2-13-12(7-10)17-15(22-13)19-8-11(9-19)18-3-5-21-6-4-18/h1-2,7,11H,3-6,8-9H2,(H2,16,20)
InChIKeyQXMDMYBHIXRUGT-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.45
Rot. Bonds3

About 2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole-5-carboxamide

2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole-5-carboxamide (PubChem CID 135148582) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole-5-carboxamide
PubChem CID135148582
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole-5-carboxamide
SMILESNC(=O)c1ccc2oc(N3CC(N4CCOCC4)C3)nc2c1
InChIInChI=1S/C15H18N4O3/c16-14(20)10-1-2-13-12(7-10)17-15(22-13)19-8-11(9-19)18-3-5-21-6-4-18/h1-2,7,11H,3-6,8-9H2,(H2,16,20)
InChIKeyQXMDMYBHIXRUGT-UHFFFAOYSA-N
XLogP0.45
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-tert-butyl-2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole
CID 146044554
N-[2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 140881174
1-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]pyrazole-4-carboxamide
CID 126900944
1-(2-pyrrolidin-1-yl-1,3-benzoxazol-5-yl)ethanone
CID 83894123
1-(5-methyl-1,3-benzoxazol-2-yl)pyrrolidine-3,4-dicarboxamide
CID 126836087
methyl 2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-benzoxazole-5-carboxylate
CID 66905434
6-chloro-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-benzoxazole
CID 172901008
2-[4-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carboxamide
CID 95524873
5-[2-amino-3-(3-morpholin-4-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine
CID 70798491
2-(4-cyclopropylpiperazin-1-yl)-1,3-benzoxazole-6-carboxylic acid
CID 116690887
5-fluoro-2-(3-pyrrolidin-1-ylazepan-1-yl)-1,3-benzoxazole
CID 133314279
5-fluoro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole
CID 126893682

Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole-5-carboxamide (CID 135148582) is 2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole-5-carboxamide is NC(=O)c1ccc2oc(N3CC(N4CCOCC4)C3)nc2c1.
What is the InChIKey of 2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole-5-carboxamide?
The InChIKey is QXMDMYBHIXRUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c16-14(20)10-1-2-13-12(7-10)17-15(22-13)19-8-11(9-19)18-3-5-21-6-4-18/h1-2,7,11H,3-6,8-9H2,(H2,16,20).
What are the key properties of 2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole-5-carboxamide?
2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole-5-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 135148582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).