N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C19H24N4O3 — CID 99960169

IUPACN-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(NC[C@@H](c1ccccn1)N1CCOCC1)c1noc2c1CCCC2
InChIInChI=1S/C19H24N4O3/c24-19(18-14-5-1-2-7-17(14)26-22-18)21-13-16(15-6-3-4-8-20-15)23-9-11-25-12-10-23/h3-4,6,8,16H,1-2,5,7,9-13H2,(H,21,24)/t16-/m0/s1
InChIKeyRXXTYMYDFCQMKH-INIZCTEOSA-N
MW356.43 g/mol
LogP1.75
Rot. Bonds5

About N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 99960169) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID99960169
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(NC[C@@H](c1ccccn1)N1CCOCC1)c1noc2c1CCCC2
InChIInChI=1S/C19H24N4O3/c24-19(18-14-5-1-2-7-17(14)26-22-18)21-13-16(15-6-3-4-8-20-15)23-9-11-25-12-10-23/h3-4,6,8,16H,1-2,5,7,9-13H2,(H,21,24)/t16-/m0/s1
InChIKeyRXXTYMYDFCQMKH-INIZCTEOSA-N
XLogP1.75
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide with MolForge

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Related Compounds

N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70776358
5-hydroxy-N-[(2R)-2-morpholin-4-yl-2-pyridin-2-ylethyl]pyridine-2-carboxamide
CID 99941083
N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2H-benzotriazole-5-carboxamide
CID 77091232
N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide
CID 131898064
3-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176504455
4-hydroxy-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 77094687
2-morpholin-4-yl-2-pyridin-2-ylethanol
CID 91095032
1-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carboxamide
CID 119069884
N-[(2R)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 97155288
N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-propyl-1,3-thiazole-4-carboxamide
CID 72938175
N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 56675305
4-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172670722

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 99960169) is N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is O=C(NC[C@@H](c1ccccn1)N1CCOCC1)c1noc2c1CCCC2.
What is the InChIKey of N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is RXXTYMYDFCQMKH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N4O3/c24-19(18-14-5-1-2-7-17(14)26-22-18)21-13-16(15-6-3-4-8-20-15)23-9-11-25-12-10-23/h3-4,6,8,16H,1-2,5,7,9-13H2,(H,21,24)/t16-/m0/s1.
What are the key properties of N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 99960169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).