N-(oxan-4-yl)-2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetamide

C17H27N5O4 — CID 95877128

IUPACN-(oxan-4-yl)-2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetamide
SMILESO=C(C[C@@H]1COCCN1C(=O)CCCn1cncn1)NC1CCOCC1
InChIInChI=1S/C17H27N5O4/c23-16(20-14-3-7-25-8-4-14)10-15-11-26-9-6-22(15)17(24)2-1-5-21-13-18-12-19-21/h12-15H,1-11H2,(H,20,23)/t15-/m1/s1
InChIKeyPUFZPQHMYUXZLC-OAHLLOKOSA-N
MW365.43 g/mol
LogP-0.03
Rot. Bonds7

About N-(oxan-4-yl)-2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetamide

N-(oxan-4-yl)-2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetamide (PubChem CID 95877128) has the molecular formula C17H27N5O4 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetamide
PubChem CID95877128
Molecular FormulaC17H27N5O4
Molecular Weight365.43 g/mol
Exact Mass365.21
IUPAC NameN-(oxan-4-yl)-2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetamide
SMILESO=C(C[C@@H]1COCCN1C(=O)CCCn1cncn1)NC1CCOCC1
InChIInChI=1S/C17H27N5O4/c23-16(20-14-3-7-25-8-4-14)10-15-11-26-9-6-22(15)17(24)2-1-5-21-13-18-12-19-21/h12-15H,1-11H2,(H,20,23)/t15-/m1/s1
InChIKeyPUFZPQHMYUXZLC-OAHLLOKOSA-N
XLogP-0.03
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetic acid
CID 95721739
1-[(3S)-3-(oxan-4-ylmethyl)morpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 164634429
N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(1,2,4-triazol-1-yl)butanamide
CID 91770644
1-[(3R)-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholin-4-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 124940280
N-cyclopentyl-2-[(3S)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholin-3-yl]acetamide
CID 95872613
1-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 94528437
N-cyclooctyl-3-(1,2,4-triazol-1-yl)propanamide
CID 31336018
1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 95315184
1-[4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 78081907
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 131944538
N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-4-(1,2,4-triazol-1-yl)butanamide;formic acid
CID 154910337
ethyl 2-[4-[4-(cyclopentylamino)-4-oxobutanoyl]morpholin-3-yl]acetate
CID 46994260

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetamide?
The IUPAC name of N-(oxan-4-yl)-2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetamide (CID 95877128) is N-(oxan-4-yl)-2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetamide.
What is the SMILES notation for N-(oxan-4-yl)-2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetamide?
The canonical SMILES for N-(oxan-4-yl)-2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetamide is O=C(C[C@@H]1COCCN1C(=O)CCCn1cncn1)NC1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetamide?
The InChIKey is PUFZPQHMYUXZLC-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27N5O4/c23-16(20-14-3-7-25-8-4-14)10-15-11-26-9-6-22(15)17(24)2-1-5-21-13-18-12-19-21/h12-15H,1-11H2,(H,20,23)/t15-/m1/s1.
What are the key properties of N-(oxan-4-yl)-2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetamide?
N-(oxan-4-yl)-2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetamide has a molecular weight of 365.43 g/mol, XLogP of -0.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetamide is sourced from PubChem (CID 95877128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).