5-methyl-N-[(R)-[(1R,2S)-1-methyl-2-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]-1,2-oxazole-3-carboxamide

C29H29N3O3 — CID 3247359

IUPAC5-methyl-N-[(R)-[(1R,2S)-1-methyl-2-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H](c2ccccc2)[C@]2(C)C[C@H]2[C@@H](C)C(=O)Nc2ccc3ccccc3c2)no1
InChIInChI=1S/C29H29N3O3/c1-18-15-25(32-35-18)28(34)31-26(21-10-5-4-6-11-21)29(3)17-24(29)19(2)27(33)30-23-14-13-20-9-7-8-12-22(20)16-23/h4-16,19,24,26H,17H2,1-3H3,(H,30,33)(H,31,34)/t19-,24+,26+,29-/m1/s1
InChIKeyGEZMALYAXNUEJF-TWKFLARCSA-N
MW467.57 g/mol
LogP5.91
Rot. Bonds7

About 5-methyl-N-[(R)-[(1R,2S)-1-methyl-2-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[(R)-[(1R,2S)-1-methyl-2-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]-1,2-oxazole-3-carboxamide (PubChem CID 3247359) has the molecular formula C29H29N3O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is 5-methyl-N-[(R)-[(1R,2S)-1-methyl-2-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(R)-[(1R,2S)-1-methyl-2-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]-1,2-oxazole-3-carboxamide
PubChem CID3247359
Molecular FormulaC29H29N3O3
Molecular Weight467.57 g/mol
Exact Mass467.22
IUPAC Name5-methyl-N-[(R)-[(1R,2S)-1-methyl-2-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H](c2ccccc2)[C@]2(C)C[C@H]2[C@@H](C)C(=O)Nc2ccc3ccccc3c2)no1
InChIInChI=1S/C29H29N3O3/c1-18-15-25(32-35-18)28(34)31-26(21-10-5-4-6-11-21)29(3)17-24(29)19(2)27(33)30-23-14-13-20-9-7-8-12-22(20)16-23/h4-16,19,24,26H,17H2,1-3H3,(H,30,33)(H,31,34)/t19-,24+,26+,29-/m1/s1
InChIKeyGEZMALYAXNUEJF-TWKFLARCSA-N
XLogP5.91
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(R)-[(1R,2S)-1-methyl-2-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[(R)-[(1R,2S)-1-methyl-2-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]-1,2-oxazole-3-carboxamide (CID 3247359) is 5-methyl-N-[(R)-[(1R,2S)-1-methyl-2-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(R)-[(1R,2S)-1-methyl-2-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(R)-[(1R,2S)-1-methyl-2-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N[C@@H](c2ccccc2)[C@]2(C)C[C@H]2[C@@H](C)C(=O)Nc2ccc3ccccc3c2)no1.
What is the InChIKey of 5-methyl-N-[(R)-[(1R,2S)-1-methyl-2-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is GEZMALYAXNUEJF-TWKFLARCSA-N. The full InChI is InChI=1S/C29H29N3O3/c1-18-15-25(32-35-18)28(34)31-26(21-10-5-4-6-11-21)29(3)17-24(29)19(2)27(33)30-23-14-13-20-9-7-8-12-22(20)16-23/h4-16,19,24,26H,17H2,1-3H3,(H,30,33)(H,31,34)/t19-,24+,26+,29-/m1/s1.
What are the key properties of 5-methyl-N-[(R)-[(1R,2S)-1-methyl-2-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[(R)-[(1R,2S)-1-methyl-2-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 5.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(R)-[(1R,2S)-1-methyl-2-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3247359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).