(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide

C16H22N6O3 — CID 96512596

IUPAC(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide
SMILESCc1cc(NC(=O)[C@H](C)N2CCO[C@H](CNc3cccnn3)C2)no1
InChIInChI=1S/C16H22N6O3/c1-11-8-15(21-25-11)19-16(23)12(2)22-6-7-24-13(10-22)9-17-14-4-3-5-18-20-14/h3-5,8,12-13H,6-7,9-10H2,1-2H3,(H,17,20)(H,19,21,23)/t12-,13+/m0/s1
InChIKeyZRJLFOMXRSQZFC-QWHCGFSZSA-N
MW346.39 g/mol
LogP0.91
Rot. Bonds6

About (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide

(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide (PubChem CID 96512596) has the molecular formula C16H22N6O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide
PubChem CID96512596
Molecular FormulaC16H22N6O3
Molecular Weight346.39 g/mol
Exact Mass346.18
IUPAC Name(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide
SMILESCc1cc(NC(=O)[C@H](C)N2CCO[C@H](CNc3cccnn3)C2)no1
InChIInChI=1S/C16H22N6O3/c1-11-8-15(21-25-11)19-16(23)12(2)22-6-7-24-13(10-22)9-17-14-4-3-5-18-20-14/h3-5,8,12-13H,6-7,9-10H2,1-2H3,(H,17,20)(H,19,21,23)/t12-,13+/m0/s1
InChIKeyZRJLFOMXRSQZFC-QWHCGFSZSA-N
XLogP0.91
TPSA105.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide
CID 100858546
(2S)-N-prop-2-enyl-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide
CID 96512625
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propanamide
CID 95764501
N-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]acetamide
CID 96512685
(2R)-2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 97004864
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propanamide
CID 71872317
2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51242524
(3S)-1-methyl-3-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]pyrrolidin-2-one
CID 97061846
N-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 71872216
N-[[4-(2-methylsulfonylethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 71872271
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propanamide
CID 97004448
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]acetamide
CID 71872628

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide?
The IUPAC name of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide (CID 96512596) is (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide.
What is the SMILES notation for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide?
The canonical SMILES for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide is Cc1cc(NC(=O)[C@H](C)N2CCO[C@H](CNc3cccnn3)C2)no1.
What is the InChIKey of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide?
The InChIKey is ZRJLFOMXRSQZFC-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H22N6O3/c1-11-8-15(21-25-11)19-16(23)12(2)22-6-7-24-13(10-22)9-17-14-4-3-5-18-20-14/h3-5,8,12-13H,6-7,9-10H2,1-2H3,(H,17,20)(H,19,21,23)/t12-,13+/m0/s1.
What are the key properties of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide?
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide has a molecular weight of 346.39 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide is sourced from PubChem (CID 96512596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).